N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide

C83H91FN26O8S — CID 158164575

About N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide

N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide (PubChem CID 158164575) has the molecular formula C83H91FN26O8S and a molecular weight of 1631.88 g/mol. Its IUPAC name is N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide
• PubChem CID: 158164575
• Molecular Formula: C83H91FN26O8S
• Molecular Weight: 1631.88 g/mol
• Exact Mass: 1630.72
• IUPAC Name: N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide
• SMILES: CC(C)c1cnc(C(=O)NC2(CO)CCN(c3nccn4cccc34)C2)nc1.Cc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(C3=NC=CC4C=CN=C34)C2)n1.O=C(NC1(CO)CCN(c2nccn3ccnc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(NC1(CO)CCN(c2nccn3ccnc23)C1)c1csc(N2CCC(O)CC2)n1
• InChI: InChI=1S/C22H22N6O.C21H20FN7O2.C20H25N7O3S.C20H24N6O2/c1-15-4-2-3-5-19(15)28-13-9-18(26-28)22(29)25-17-8-12-27(14-17)21-20-16(6-10-23-20)7-11-24-21;22-15-1-3-16(4-2-15)29-9-5-17(26-29)20(31)25-21(14-30)6-10-28(13-21)19-18-23-7-11-27(18)12-8-24-19;28-13-20(3-8-27(12-20)17-16-21-4-9-25(16)10-5-22-17)24-18(30)15-11-31-19(23-15)26-6-1-14(29)2-7-26;1-14(2)15-10-22-17(23-11-15)19(28)24-20(13-27)5-8-26(12-20)18-16-4-3-7-25(16)9-6-21-18/h2-7,9-11,13,16-17H,8,12,14H2,1H3,(H,25,29);1-5,7-9,11-12,30H,6,10,13-14H2,(H,25,31);4-5,9-11,14,28-29H,1-3,6-8,12-13H2,(H,24,30);3-4,6-7,9-11,14,27H,5,8,12-13H2,1-2H3,(H,24,28)/t16?,17-;;;/m0.../s1
• InChIKey: FWRLXGSNTPJBGP-BFGIDXLGSA-N
• XLogP: 6.06
• TPSA: 390.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1631.88
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide?

The IUPAC name of N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide (CID 158164575) is N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide.

What is the SMILES notation for N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide?

The canonical SMILES for N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide is CC(C)c1cnc(C(=O)NC2(CO)CCN(c3nccn4cccc34)C2)nc1.Cc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(C3=NC=CC4C=CN=C34)C2)n1.O=C(NC1(CO)CCN(c2nccn3ccnc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(NC1(CO)CCN(c2nccn3ccnc23)C1)c1csc(N2CCC(O)CC2)n1.

What is the InChIKey of N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide?

The InChIKey is FWRLXGSNTPJBGP-BFGIDXLGSA-N. The full InChI is InChI=1S/C22H22N6O.C21H20FN7O2.C20H25N7O3S.C20H24N6O2/c1-15-4-2-3-5-19(15)28-13-9-18(26-28)22(29)25-17-8-12-27(14-17)21-20-16(6-10-23-20)7-11-24-21;22-15-1-3-16(4-2-15)29-9-5-17(26-29)20(31)25-21(14-30)6-10-28(13-21)19-18-23-7-11-27(18)12-8-24-19;28-13-20(3-8-27(12-20)17-16-21-4-9-25(16)10-5-22-17)24-18(30)15-11-31-19(23-15)26-6-1-14(29)2-7-26;1-14(2)15-10-22-17(23-11-15)19(28)24-20(13-27)5-8-26(12-20)18-16-4-3-7-25(16)9-6-21-18/h2-7,9-11,13,16-17H,8,12,14H2,1H3,(H,25,29);1-5,7-9,11-12,30H,6,10,13-14H2,(H,25,31);4-5,9-11,14,28-29H,1-3,6-8,12-13H2,(H,24,30);3-4,6-7,9-11,14,27H,5,8,12-13H2,1-2H3,(H,24,28)/t16?,17-;;;/m0.../s1.

What are the key properties of N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide?

N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide has a molecular weight of 1631.88 g/mol, XLogP of 6.06, 18 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-(3aH-pyrrolo[2,3-c]pyridin-7-yl)pyrrolidin-3-yl]-1-(2-methylphenyl)pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-5-propan-2-ylpyrimidine-2-carboxamide is sourced from PubChem (CID 158164575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).