4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide

C105H134N20O13S4 — CID 157191500

About 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide (PubChem CID 157191500) has the molecular formula C105H134N20O13S4 and a molecular weight of 2012.62 g/mol. Its IUPAC name is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide
• PubChem CID: 157191500
• Molecular Formula: C105H134N20O13S4
• Molecular Weight: 2012.62 g/mol
• Exact Mass: 2010.93
• IUPAC Name: 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide
• SMILES: Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H]2CCC[C@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H]2CC[C@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H]2COC[C@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@H]2CC[C@@H]2O)nc1C(=O)N1C2CCC1CC2
• InChI: InChI=1S/C27H35N5O3S.C26H33N5O4S.2C26H33N5O3S/c1-14-12-22(29-15(2)16-6-7-16)28-13-19(14)24-23(27(35)32-17-8-9-18(32)11-10-17)31-26(36-24)25(34)30-20-4-3-5-21(20)33;1-13-9-21(28-14(2)15-3-4-15)27-10-18(13)23-22(26(34)31-16-5-6-17(31)8-7-16)30-25(36-23)24(33)29-19-11-35-12-20(19)32;2*1-13-11-21(28-14(2)15-3-4-15)27-12-18(13)23-22(26(34)31-16-5-6-17(31)8-7-16)30-25(35-23)24(33)29-19-9-10-20(19)32/h12-13,15-18,20-21,33H,3-11H2,1-2H3,(H,28,29)(H,30,34);9-10,14-17,19-20,32H,3-8,11-12H2,1-2H3,(H,27,28)(H,29,33);2*11-12,14-17,19-20,32H,3-10H2,1-2H3,(H,27,28)(H,29,33)/t15-,17?,18?,20-,21-;14-,16?,17?,19-,20-;14-,16?,17?,19+,20+;14-,16?,17?,19-,20-/m1111/s1
• InChIKey: APTDLLGNNLDUIL-NGZAUIJOSA-N
• XLogP: 14.60
• TPSA: 439.03 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2012.62
LogP ≤ 5	14.60
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide (CID 157191500) is 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide is Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H]2CCC[C@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H]2CC[C@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@@H]2COC[C@H]2O)nc1C(=O)N1C2CCC1CC2.Cc1cc(N[C@H](C)C2CC2)ncc1-c1sc(C(=O)N[C@H]2CC[C@@H]2O)nc1C(=O)N1C2CCC1CC2.

What is the InChIKey of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide?

The InChIKey is APTDLLGNNLDUIL-NGZAUIJOSA-N. The full InChI is InChI=1S/C27H35N5O3S.C26H33N5O4S.2C26H33N5O3S/c1-14-12-22(29-15(2)16-6-7-16)28-13-19(14)24-23(27(35)32-17-8-9-18(32)11-10-17)31-26(36-24)25(34)30-20-4-3-5-21(20)33;1-13-9-21(28-14(2)15-3-4-15)27-10-18(13)23-22(26(34)31-16-5-6-17(31)8-7-16)30-25(36-23)24(33)29-19-11-35-12-20(19)32;2*1-13-11-21(28-14(2)15-3-4-15)27-12-18(13)23-22(26(34)31-16-5-6-17(31)8-7-16)30-25(35-23)24(33)29-19-9-10-20(19)32/h12-13,15-18,20-21,33H,3-11H2,1-2H3,(H,28,29)(H,30,34);9-10,14-17,19-20,32H,3-8,11-12H2,1-2H3,(H,27,28)(H,29,33);2*11-12,14-17,19-20,32H,3-10H2,1-2H3,(H,27,28)(H,29,33)/t15-,17?,18?,20-,21-;14-,16?,17?,19-,20-;14-,16?,17?,19+,20+;14-,16?,17?,19-,20-/m1111/s1.

What are the key properties of 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide?

4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 2012.62 g/mol, XLogP of 14.60, 28 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1S,2S)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclobutyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 157191500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).