4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

C124H165N25O16S5 — CID 159991261

IUPAC4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)NC3CCOCC3)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@@H]3CC[C@@H](O)C3)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3CC[C@H](O)C3)nc2C(=O)N2C3CCC2CC3)cn1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@@H]2C[C@H]2O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2COC[C@@H]2O)nc1C(=O)N1C2CCC1CC2
InChIInChI=1S/3C26H35N5O3S.C24H31N5O4S.C22H29N5O3S/c2*1-4-15(3)28-21-11-14(2)20(13-27-21)23-22(26(34)31-17-6-7-18(31)9-8-17)30-25(35-23)24(33)29-16-5-10-19(32)12-16;1-4-16(3)28-21-13-15(2)20(14-27-21)23-22(26(33)31-18-5-6-19(31)8-7-18)30-25(35-23)24(32)29-17-9-11-34-12-10-17;1-12(2)26-19-8-13(3)16(9-25-19)21-20(24(32)29-14-4-5-15(29)7-6-14)28-23(34-21)22(31)27-17-10-33-11-18(17)30;1-11(2)24-17-8-12(3)14(10-23-17)19-18(22(30)27-7-5-6-13(27)4)26-21(31-19)20(29)25-15-9-16(15)28/h2*11,13,15-19,32H,4-10,12H2,1-3H3,(H,27,28)(H,29,33);13-14,16-19H,4-12H2,1-3H3,(H,27,28)(H,29,32);8-9,12,14-15,17-18,30H,4-7,10-11H2,1-3H3,(H,25,26)(H,27,31);8,10-11,13,15-16,28H,5-7,9H2,1-4H3,(H,23,24)(H,25,29)/t15-,16+,17?,18?,19+;15-,16-,17?,18?,19-;16-,18?,19?;14?,15?,17-,18-;13-,15+,16+/m11100/s1
InChIKeyOGYZINJENPYZKZ-MPJPRNTBSA-N
MW2422.18 g/mol
LogP18.08
Rot. Bonds33

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-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-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (PubChem CID 159991261) has the molecular formula C124H165N25O16S5 and a molecular weight of 2422.18 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-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-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-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
PubChem CID159991261
Molecular FormulaC124H165N25O16S5
Molecular Weight2422.18 g/mol
Exact Mass2420.15
IUPAC Name4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
SMILESCC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)NC3CCOCC3)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@@H]3CC[C@@H](O)C3)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3CC[C@H](O)C3)nc2C(=O)N2C3CCC2CC3)cn1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@@H]2C[C@H]2O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2COC[C@@H]2O)nc1C(=O)N1C2CCC1CC2
InChIInChI=1S/3C26H35N5O3S.C24H31N5O4S.C22H29N5O3S/c2*1-4-15(3)28-21-11-14(2)20(13-27-21)23-22(26(34)31-17-6-7-18(31)9-8-17)30-25(35-23)24(33)29-16-5-10-19(32)12-16;1-4-16(3)28-21-13-15(2)20(14-27-21)23-22(26(33)31-18-5-6-19(31)8-7-18)30-25(35-23)24(32)29-17-9-11-34-12-10-17;1-12(2)26-19-8-13(3)16(9-25-19)21-20(24(32)29-14-4-5-15(29)7-6-14)28-23(34-21)22(31)27-17-10-33-11-18(17)30;1-11(2)24-17-8-12(3)14(10-23-17)19-18(22(30)27-7-5-6-13(27)4)26-21(31-19)20(29)25-15-9-16(15)28/h2*11,13,15-19,32H,4-10,12H2,1-3H3,(H,27,28)(H,29,33);13-14,16-19H,4-12H2,1-3H3,(H,27,28)(H,29,32);8-9,12,14-15,17-18,30H,4-7,10-11H2,1-3H3,(H,25,26)(H,27,31);8,10-11,13,15-16,28H,5-7,9H2,1-4H3,(H,23,24)(H,25,29)/t15-,16+,17?,18?,19+;15-,16-,17?,18?,19-;16-,18?,19?;14?,15?,17-,18-;13-,15+,16+/m11100/s1
InChIKeyOGYZINJENPYZKZ-MPJPRNTBSA-N
XLogP18.08
TPSA535.48 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds33
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002422.18
LogP ≤ 518.08
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Analyze 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-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-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide (CID 159991261) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-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-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-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-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)NC3CCOCC3)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@@H]3CC[C@@H](O)C3)nc2C(=O)N2C3CCC2CC3)cn1.CC[C@@H](C)Nc1cc(C)c(-c2sc(C(=O)N[C@H]3CC[C@H](O)C3)nc2C(=O)N2C3CCC2CC3)cn1.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@@H]2C[C@H]2O)nc1C(=O)N1CCC[C@@H]1C.Cc1cc(NC(C)C)ncc1-c1sc(C(=O)N[C@H]2COC[C@@H]2O)nc1C(=O)N1C2CCC1CC2.
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-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide?
The InChIKey is OGYZINJENPYZKZ-MPJPRNTBSA-N. The full InChI is InChI=1S/3C26H35N5O3S.C24H31N5O4S.C22H29N5O3S/c2*1-4-15(3)28-21-11-14(2)20(13-27-21)23-22(26(34)31-17-6-7-18(31)9-8-17)30-25(35-23)24(33)29-16-5-10-19(32)12-16;1-4-16(3)28-21-13-15(2)20(14-27-21)23-22(26(33)31-18-5-6-19(31)8-7-18)30-25(35-23)24(32)29-17-9-11-34-12-10-17;1-12(2)26-19-8-13(3)16(9-25-19)21-20(24(32)29-14-4-5-15(29)7-6-14)28-23(34-21)22(31)27-17-10-33-11-18(17)30;1-11(2)24-17-8-12(3)14(10-23-17)19-18(22(30)27-7-5-6-13(27)4)26-21(31-19)20(29)25-15-9-16(15)28/h2*11,13,15-19,32H,4-10,12H2,1-3H3,(H,27,28)(H,29,33);13-14,16-19H,4-12H2,1-3H3,(H,27,28)(H,29,32);8-9,12,14-15,17-18,30H,4-7,10-11H2,1-3H3,(H,25,26)(H,27,31);8,10-11,13,15-16,28H,5-7,9H2,1-4H3,(H,23,24)(H,25,29)/t15-,16+,17?,18?,19+;15-,16-,17?,18?,19-;16-,18?,19?;14?,15?,17-,18-;13-,15+,16+/m11100/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-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-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-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide has a molecular weight of 2422.18 g/mol, XLogP of 18.08, 33 rotatable bonds, 14 hydrogen bond donors, and 36 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-[(1S,3S)-3-hydroxycyclopentyl]-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-[(1R,3R)-3-hydroxycyclopentyl]-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-(oxan-4-yl)-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;N-[(1R,2R)-2-hydroxycyclopropyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 159991261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).