N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride

C85H85Cl3F4N18O15Sn — CID 158146492

About N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride

N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride (PubChem CID 158146492) has the molecular formula C85H85Cl3F4N18O15Sn and a molecular weight of 1900.79 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride
• PubChem CID: 158146492
• Molecular Formula: C85H85Cl3F4N18O15Sn
• Molecular Weight: 1900.79 g/mol
• Exact Mass: 1899.45
• IUPAC Name: N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.CC1CN(C(=O)c2ccc[nH]2)Cc2c(C(=O)O)nn(Cc3ccc(F)cc3)c21.COc1ccc(N)cc1[N+](=O)[O-].COc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)cc1N.COc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)cc1[N+](=O)[O-].Cl[Sn]Cl.[2H]CF
• InChI: InChI=1S/C27H25FN6O5.C27H27FN6O3.C20H19FN4O3.C7H8N2O3.C3H3ClO.CH3F.2ClH.Sn/c1-16-13-32(27(36)21-4-3-11-29-21)15-20-24(31-33(25(16)20)14-17-5-7-18(28)8-6-17)26(35)30-19-9-10-23(39-2)22(12-19)34(37)38;1-16-13-33(27(36)22-4-3-11-30-22)15-20-24(26(35)31-19-9-10-23(37-2)21(29)12-19)32-34(25(16)20)14-17-5-7-18(28)8-6-17;1-12-9-24(19(26)16-3-2-8-22-16)11-15-17(20(27)28)23-25(18(12)15)10-13-4-6-14(21)7-5-13;1-12-7-3-2-5(8)4-6(7)9(10)11;1-2-3(4)5;1-2;;;/h3-12,16,29H,13-15H2,1-2H3,(H,30,35);3-12,16,30H,13-15,29H2,1-2H3,(H,31,35);2-8,12,22H,9-11H2,1H3,(H,27,28);2-4H,8H2,1H3;2H,1H2;1H3;2*1H;/q;;;;;;;;+2/p-2/i;;;;;1D
• InChIKey: FUOSJTMSRWEJOJ-MQTHTPQTSA-L
• XLogP: 14.89
• TPSA: 440.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1900.79
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride?

The IUPAC name of N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride (CID 158146492) is N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride.

What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride?

The canonical SMILES for N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride is C=CC(=O)Cl.CC1CN(C(=O)c2ccc[nH]2)Cc2c(C(=O)O)nn(Cc3ccc(F)cc3)c21.COc1ccc(N)cc1[N+](=O)[O-].COc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)cc1N.COc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)cc1[N+](=O)[O-].Cl[Sn]Cl.[2H]CF.

What is the InChIKey of N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride?

The InChIKey is FUOSJTMSRWEJOJ-MQTHTPQTSA-L. The full InChI is InChI=1S/C27H25FN6O5.C27H27FN6O3.C20H19FN4O3.C7H8N2O3.C3H3ClO.CH3F.2ClH.Sn/c1-16-13-32(27(36)21-4-3-11-29-21)15-20-24(31-33(25(16)20)14-17-5-7-18(28)8-6-17)26(35)30-19-9-10-23(39-2)22(12-19)34(37)38;1-16-13-33(27(36)22-4-3-11-30-22)15-20-24(26(35)31-19-9-10-23(37-2)21(29)12-19)32-34(25(16)20)14-17-5-7-18(28)8-6-17;1-12-9-24(19(26)16-3-2-8-22-16)11-15-17(20(27)28)23-25(18(12)15)10-13-4-6-14(21)7-5-13;1-12-7-3-2-5(8)4-6(7)9(10)11;1-2-3(4)5;1-2;;;/h3-12,16,29H,13-15H2,1-2H3,(H,30,35);3-12,16,30H,13-15,29H2,1-2H3,(H,31,35);2-8,12,22H,9-11H2,1H3,(H,27,28);2-4H,8H2,1H3;2H,1H2;1H3;2*1H;/q;;;;;;;;+2/p-2/i;;;;;1D;;;.

What are the key properties of N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride?

N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride has a molecular weight of 1900.79 g/mol, XLogP of 14.89, 20 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-4-methoxyphenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;deuterio(fluoro)methane;dichlorotin;1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-nitrophenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;4-methoxy-3-nitroaniline;prop-2-enoyl chloride is sourced from PubChem (CID 158146492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).