4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C125H181F2N25O15S5 — CID 157422741

IUPAC4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1.CCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1
InChIInChI=1S/C26H39N5O3S.C25H35N5O3S.2C25H37N5O3S.C24H33F2N5O3S/c1-8-25(4,5)30-19-13-16(2)18(14-27-19)21-20(24(33)31-12-10-9-11-17(31)3)29-23(35-21)22(32)28-15-26(6,7)34;1-6-15(3)28-19-11-14(2)18(12-26-19)21-20(24(32)30-16-7-8-17(30)10-9-16)29-23(34-21)22(31)27-13-25(4,5)33;1-8-24(4,5)29-18-12-15(2)17(13-26-18)20-19(23(32)30-11-9-10-16(30)3)28-22(34-20)21(31)27-14-25(6,7)33;1-7-16(3)28-19-12-15(2)18(13-26-19)21-20(24(32)30-11-9-8-10-17(30)4)29-23(34-21)22(31)27-14-25(5,6)33;1-7-14(3)29-17-8-13(2)16(10-27-17)19-18(22(33)31-12-24(25,26)9-15(31)4)30-21(35-19)20(32)28-11-23(5,6)34/h13-14,17,34H,8-12,15H2,1-7H3,(H,27,30)(H,28,32);11-12,15-17,33H,6-10,13H2,1-5H3,(H,26,28)(H,27,31);12-13,16,33H,8-11,14H2,1-7H3,(H,26,29)(H,27,31);12-13,16-17,33H,7-11,14H2,1-6H3,(H,26,28)(H,27,31);8,10,14-15,34H,7,9,11-12H2,1-6H3,(H,27,29)(H,28,32)/t17-;15-,16?,17?;16-;16-,17+;14-,15+/m01011/s1
InChIKeyBPPFTVYMNADRBO-HVCPJTHLSA-N
MW2472.31 g/mol
LogP21.19
Rot. Bonds40

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 157422741) has the molecular formula C125H181F2N25O15S5 and a molecular weight of 2472.31 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID157422741
Molecular FormulaC125H181F2N25O15S5
Molecular Weight2472.31 g/mol
Exact Mass2470.27
IUPAC Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1.CCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1
InChIInChI=1S/C26H39N5O3S.C25H35N5O3S.2C25H37N5O3S.C24H33F2N5O3S/c1-8-25(4,5)30-19-13-16(2)18(14-27-19)21-20(24(33)31-12-10-9-11-17(31)3)29-23(35-21)22(32)28-15-26(6,7)34;1-6-15(3)28-19-11-14(2)18(12-26-19)21-20(24(32)30-16-7-8-17(30)10-9-16)29-23(34-21)22(31)27-13-25(4,5)33;1-8-24(4,5)29-18-12-15(2)17(13-26-18)20-19(23(32)30-11-9-10-16(30)3)28-22(34-20)21(31)27-14-25(6,7)33;1-7-16(3)28-19-12-15(2)18(13-26-19)21-20(24(32)30-11-9-8-10-17(30)4)29-23(34-21)22(31)27-14-25(5,6)33;1-7-14(3)29-17-8-13(2)16(10-27-17)19-18(22(33)31-12-24(25,26)9-15(31)4)30-21(35-19)20(32)28-11-23(5,6)34/h13-14,17,34H,8-12,15H2,1-7H3,(H,27,30)(H,28,32);11-12,15-17,33H,6-10,13H2,1-5H3,(H,26,28)(H,27,31);12-13,16,33H,8-11,14H2,1-7H3,(H,26,29)(H,27,31);12-13,16-17,33H,7-11,14H2,1-6H3,(H,26,28)(H,27,31);8,10,14-15,34H,7,9,11-12H2,1-6H3,(H,27,29)(H,28,32)/t17-;15-,16?,17?;16-;16-,17+;14-,15+/m01011/s1
InChIKeyBPPFTVYMNADRBO-HVCPJTHLSA-N
XLogP21.19
TPSA537.25 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds40
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002472.31
LogP ≤ 521.19
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Analyze 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide with MolForge

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Related Compounds

US10975068, Example 34
CID 132056778
US10975068, Example 32
CID 132056876
US10975068, Example 108
CID 132056916
US10975068, Example 91
CID 132056941
US10975068, Example 27
CID 132057096
US10975068, Example 94
CID 132057129
US10975068, Example 41
CID 132057139
US10975068, Example 80
CID 132057224
US10975068, Example 5
CID 132057306
US10975068, Example 99
CID 132057454
US10975068, Example 95
CID 132057514
US10975068, Example 103
CID 132057537

Frequently Asked Questions

What is the IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 157422741) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is CCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1.CCC(C)(C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCC[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CC(F)(F)C[C@@H]2C)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)NCC(C)(C)O)nc2C(=O)N2CCCC[C@@H]2C)cn1.
What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is BPPFTVYMNADRBO-HVCPJTHLSA-N. The full InChI is InChI=1S/C26H39N5O3S.C25H35N5O3S.2C25H37N5O3S.C24H33F2N5O3S/c1-8-25(4,5)30-19-13-16(2)18(14-27-19)21-20(24(33)31-12-10-9-11-17(31)3)29-23(35-21)22(32)28-15-26(6,7)34;1-6-15(3)28-19-11-14(2)18(12-26-19)21-20(24(32)30-16-7-8-17(30)10-9-16)29-23(34-21)22(31)27-13-25(4,5)33;1-8-24(4,5)29-18-12-15(2)17(13-26-18)20-19(23(32)30-11-9-10-16(30)3)28-22(34-20)21(31)27-14-25(6,7)33;1-7-16(3)28-19-12-15(2)18(13-26-19)21-20(24(32)30-11-9-8-10-17(30)4)29-23(34-21)22(31)27-14-25(5,6)33;1-7-14(3)29-17-8-13(2)16(10-27-17)19-18(22(33)31-12-24(25,26)9-15(31)4)30-21(35-19)20(32)28-11-23(5,6)34/h13-14,17,34H,8-12,15H2,1-7H3,(H,27,30)(H,28,32);11-12,15-17,33H,6-10,13H2,1-5H3,(H,26,28)(H,27,31);12-13,16,33H,8-11,14H2,1-7H3,(H,26,29)(H,27,31);12-13,16-17,33H,7-11,14H2,1-6H3,(H,26,28)(H,27,31);8,10,14-15,34H,7,9,11-12H2,1-6H3,(H,27,29)(H,28,32)/t17-;15-,16?,17?;16-;16-,17+;14-,15+/m01011/s1.
What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 2472.31 g/mol, XLogP of 21.19, 40 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 157422741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).