1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride

C90H93Cl3N18O10Sn — CID 161269111

About 1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride

1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride (PubChem CID 161269111) has the molecular formula C90H93Cl3N18O10Sn and a molecular weight of 1811.92 g/mol. Its IUPAC name is 1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride
• PubChem CID: 161269111
• Molecular Formula: C90H93Cl3N18O10Sn
• Molecular Weight: 1811.92 g/mol
• Exact Mass: 1810.54
• IUPAC Name: 1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1ccc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2C(C)CN(C(=O)c2ccc[nH]2)C3)cc1C.Cc1cccc(NC(=O)c2nn(Cc3ccc(N)c(C)c3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)c1.Cc1cccc(NC(=O)c2nn(Cc3ccc([N+](=O)[O-])c(C)c3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)c1.Cl[Sn]Cl
• InChI: InChI=1S/C31H32N6O3.C28H28N6O4.C28H30N6O2.C3H3ClO.2ClH.Sn/c1-5-27(38)34-25-12-11-22(15-20(25)3)17-37-29-21(4)16-36(31(40)26-10-7-13-32-26)18-24(29)28(35-37)30(39)33-23-9-6-8-19(2)14-23;1-17-6-4-7-21(12-17)30-27(35)25-22-16-32(28(36)23-8-5-11-29-23)14-19(3)26(22)33(31-25)15-20-9-10-24(34(37)38)18(2)13-20;1-17-6-4-7-21(12-17)31-27(35)25-22-16-33(28(36)24-8-5-11-30-24)14-19(3)26(22)34(32-25)15-20-9-10-23(29)18(2)13-20;1-2-3(4)5;;;/h5-15,21,32H,1,16-18H2,2-4H3,(H,33,39)(H,34,38);4-13,19,29H,14-16H2,1-3H3,(H,30,35);4-13,19,30H,14-16,29H2,1-3H3,(H,31,35);2H,1H2;2*1H;/q;;;;;;+2/p-2
• InChIKey: VDOOXPLZFKQZIP-UHFFFAOYSA-L
• XLogP: 16.22
• TPSA: 364.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1811.92
LogP ≤ 5	16.22
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

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 1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride?

The IUPAC name of 1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride (CID 161269111) is 1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride.

What is the SMILES notation for 1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride?

The canonical SMILES for 1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1ccc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2C(C)CN(C(=O)c2ccc[nH]2)C3)cc1C.Cc1cccc(NC(=O)c2nn(Cc3ccc(N)c(C)c3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)c1.Cc1cccc(NC(=O)c2nn(Cc3ccc([N+](=O)[O-])c(C)c3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)c1.Cl[Sn]Cl.

What is the InChIKey of 1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride?

The InChIKey is VDOOXPLZFKQZIP-UHFFFAOYSA-L. The full InChI is InChI=1S/C31H32N6O3.C28H28N6O4.C28H30N6O2.C3H3ClO.2ClH.Sn/c1-5-27(38)34-25-12-11-22(15-20(25)3)17-37-29-21(4)16-36(31(40)26-10-7-13-32-26)18-24(29)28(35-37)30(39)33-23-9-6-8-19(2)14-23;1-17-6-4-7-21(12-17)30-27(35)25-22-16-32(28(36)23-8-5-11-29-23)14-19(3)26(22)33(31-25)15-20-9-10-24(34(37)38)18(2)13-20;1-17-6-4-7-21(12-17)31-27(35)25-22-16-33(28(36)24-8-5-11-30-24)14-19(3)26(22)34(32-25)15-20-9-10-23(29)18(2)13-20;1-2-3(4)5;;;/h5-15,21,32H,1,16-18H2,2-4H3,(H,33,39)(H,34,38);4-13,19,29H,14-16H2,1-3H3,(H,30,35);4-13,19,30H,14-16,29H2,1-3H3,(H,31,35);2H,1H2;2*1H;/q;;;;;;+2/p-2.

What are the key properties of 1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride?

1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride has a molecular weight of 1811.92 g/mol, XLogP of 16.22, 19 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-amino-3-methylphenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;dichlorotin;7-methyl-1-[(3-methyl-4-nitrophenyl)methyl]-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;7-methyl-N-(3-methylphenyl)-1-[[3-methyl-4-(prop-2-enoylamino)phenyl]methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide;prop-2-enoyl chloride is sourced from PubChem (CID 161269111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).