N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate

C92H98Cl5N39O8 — CID 157340767

About N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate

N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate (PubChem CID 157340767) has the molecular formula C92H98Cl5N39O8 and a molecular weight of 2055.33 g/mol. Its IUPAC name is N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate
• PubChem CID: 157340767
• Molecular Formula: C92H98Cl5N39O8
• Molecular Weight: 2055.33 g/mol
• Exact Mass: 2051.69
• IUPAC Name: N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate
• SMILES: CC1CN(C)CCN1c1ccncc1NC(=O)c1c(N)nn2cc(Cl)cnc12.COC(=O)C1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1.COC1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1.Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCN2CCC[C@H]2C1.Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCn2cncc2C1
• InChI: InChI=1S/C19H21ClN8O.C19H20ClN7O3.C18H16ClN9O.C18H21ClN8O.C18H20ClN7O2/c20-12-8-23-18-16(17(21)25-28(18)10-12)19(29)24-14-9-22-4-3-15(14)27-7-6-26-5-1-2-13(26)11-27;1-30-19(29)11-3-6-26(7-4-11)14-2-5-22-9-13(14)24-18(28)15-16(21)25-27-10-12(20)8-23-17(15)27;19-11-5-23-17-15(16(20)25-28(17)8-11)18(29)24-13-7-21-2-1-14(13)26-3-4-27-10-22-6-12(27)9-26;1-11-9-25(2)5-6-26(11)14-3-4-21-8-13(14)23-18(28)15-16(20)24-27-10-12(19)7-22-17(15)27;1-28-12-3-6-25(7-4-12)14-2-5-21-9-13(14)23-18(27)15-16(20)24-26-10-11(19)8-22-17(15)26/h3-4,8-10,13H,1-2,5-7,11H2,(H2,21,25)(H,24,29);2,5,8-11H,3-4,6-7H2,1H3,(H2,21,25)(H,24,28);1-2,5-8,10H,3-4,9H2,(H2,20,25)(H,24,29);3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,20,24)(H,23,28);2,5,8-10,12H,3-4,6-7H2,1H3,(H2,20,24)(H,23,27)/t13-;;;;/m0..../s1
• InChIKey: BGJDOWJLYXIESE-AHJYMZSGSA-N
• XLogP: 9.71
• TPSA: 567.03 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 17
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2055.33
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate?

The IUPAC name of N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate (CID 157340767) is N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate.

What is the SMILES notation for N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate?

The canonical SMILES for N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate is CC1CN(C)CCN1c1ccncc1NC(=O)c1c(N)nn2cc(Cl)cnc12.COC(=O)C1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1.COC1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(Cl)cnc23)CC1.Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCN2CCC[C@H]2C1.Nc1nn2cc(Cl)cnc2c1C(=O)Nc1cnccc1N1CCn2cncc2C1.

What is the InChIKey of N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate?

The InChIKey is BGJDOWJLYXIESE-AHJYMZSGSA-N. The full InChI is InChI=1S/C19H21ClN8O.C19H20ClN7O3.C18H16ClN9O.C18H21ClN8O.C18H20ClN7O2/c20-12-8-23-18-16(17(21)25-28(18)10-12)19(29)24-14-9-22-4-3-15(14)27-7-6-26-5-1-2-13(26)11-27;1-30-19(29)11-3-6-26(7-4-11)14-2-5-22-9-13(14)24-18(28)15-16(21)25-27-10-12(20)8-23-17(15)27;19-11-5-23-17-15(16(20)25-28(17)8-11)18(29)24-13-7-21-2-1-14(13)26-3-4-27-10-22-6-12(27)9-26;1-11-9-25(2)5-6-26(11)14-3-4-21-8-13(14)23-18(28)15-16(20)24-27-10-12(19)7-22-17(15)27;1-28-12-3-6-25(7-4-12)14-2-5-21-9-13(14)23-18(27)15-16(20)24-26-10-11(19)8-22-17(15)26/h3-4,8-10,13H,1-2,5-7,11H2,(H2,21,25)(H,24,29);2,5,8-11H,3-4,6-7H2,1H3,(H2,21,25)(H,24,28);1-2,5-8,10H,3-4,9H2,(H2,20,25)(H,24,29);3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,20,24)(H,23,28);2,5,8-10,12H,3-4,6-7H2,1H3,(H2,20,24)(H,23,27)/t13-;;;;/m0..../s1.

What are the key properties of N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate?

N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate has a molecular weight of 2055.33 g/mol, XLogP of 9.71, 17 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(2,4-dimethylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-chloro-N-[4-(4-methoxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl 1-[3-[(2-amino-6-chloropyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]-4-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 157340767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).