4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine

C100H105ClF8I2N20O4Sn — CID 157288059

About 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine

4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine (PubChem CID 157288059) has the molecular formula C100H105ClF8I2N20O4Sn and a molecular weight of 2211.03 g/mol. Its IUPAC name is 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine.

Molecular Properties

• Compound Name: 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine
• PubChem CID: 157288059
• Molecular Formula: C100H105ClF8I2N20O4Sn
• Molecular Weight: 2211.03 g/mol
• Exact Mass: 2210.53
• IUPAC Name: 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine
• SMILES: COc1ccc(Cn2nc(-c3ccccn3)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.COc1ccc(Cn2nc(I)c3c(Cl)nccc32)cc1.COc1ccc(Cn2nc(I)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.COc1ccc(Cn2nc([Sn](C)(C)C)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.FC1(F)CCC(Nc2nccc3c2C(c2ccccn2)=NC3)CC1
• InChI: InChI=1S/C25H25F2N5O.C20H21F2IN4O.C20H21F2N4O.C18H18F2N4.C14H11ClIN3O.3CH3.Sn/c1-33-19-7-5-17(6-8-19)16-32-21-11-15-29-24(30-18-9-12-25(26,27)13-10-18)22(21)23(31-32)20-4-2-3-14-28-20;1-28-15-4-2-13(3-5-15)12-27-16-8-11-24-19(17(16)18(23)26-27)25-14-6-9-20(21,22)10-7-14;1-27-16-4-2-14(3-5-16)13-26-18-8-11-23-19(17(18)12-24-26)25-15-6-9-20(21,22)10-7-15;19-18(20)7-4-13(5-8-18)24-17-15-12(6-10-22-17)11-23-16(15)14-3-1-2-9-21-14;1-20-10-4-2-9(3-5-10)8-19-11-6-7-17-13(15)12(11)14(16)18-19;;;;/h2-8,11,14-15,18H,9-10,12-13,16H2,1H3,(H,29,30);2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,24,25);2-5,8,11,15H,6-7,9-10,13H2,1H3,(H,23,25);1-3,6,9-10,13H,4-5,7-8,11H2,(H,22,24);2-7H,8H2,1H3;3*1H3
• InChIKey: BALZCMTVOSYPIE-UHFFFAOYSA-N
• XLogP: 23.21
• TPSA: 258.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2211.03
LogP ≤ 5	23.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine?

The IUPAC name of 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine (CID 157288059) is 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine.

What is the SMILES notation for 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine?

The canonical SMILES for 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine is COc1ccc(Cn2nc(-c3ccccn3)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.COc1ccc(Cn2nc(I)c3c(Cl)nccc32)cc1.COc1ccc(Cn2nc(I)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.COc1ccc(Cn2nc([Sn](C)(C)C)c3c(NC4CCC(F)(F)CC4)nccc32)cc1.FC1(F)CCC(Nc2nccc3c2C(c2ccccn2)=NC3)CC1.

What is the InChIKey of 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine?

The InChIKey is BALZCMTVOSYPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O.C20H21F2IN4O.C20H21F2N4O.C18H18F2N4.C14H11ClIN3O.3CH3.Sn/c1-33-19-7-5-17(6-8-19)16-32-21-11-15-29-24(30-18-9-12-25(26,27)13-10-18)22(21)23(31-32)20-4-2-3-14-28-20;1-28-15-4-2-13(3-5-15)12-27-16-8-11-24-19(17(16)18(23)26-27)25-14-6-9-20(21,22)10-7-14;1-27-16-4-2-14(3-5-16)13-26-18-8-11-23-19(17(18)12-24-26)25-15-6-9-20(21,22)10-7-15;19-18(20)7-4-13(5-8-18)24-17-15-12(6-10-22-17)11-23-16(15)14-3-1-2-9-21-14;1-20-10-4-2-9(3-5-10)8-19-11-6-7-17-13(15)12(11)14(16)18-19;;;;/h2-8,11,14-15,18H,9-10,12-13,16H2,1H3,(H,29,30);2-5,8,11,14H,6-7,9-10,12H2,1H3,(H,24,25);2-5,8,11,15H,6-7,9-10,13H2,1H3,(H,23,25);1-3,6,9-10,13H,4-5,7-8,11H2,(H,22,24);2-7H,8H2,1H3;3*1H3;.

What are the key properties of 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine?

4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine has a molecular weight of 2211.03 g/mol, XLogP of 23.21, 23 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine is sourced from PubChem (CID 157288059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).