1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

C27H26FN5O3 — CID 134433196

IUPAC1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)cc1
InChIInChI=1S/C27H26FN5O3/c1-17-14-32(27(35)23-4-3-13-29-23)16-22-24(26(34)30-20-9-11-21(36-2)12-10-20)31-33(25(17)22)15-18-5-7-19(28)8-6-18/h3-13,17,29H,14-16H2,1-2H3,(H,30,34)
InChIKeyCQBKOHTVPSDGEA-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.42
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 134433196) has the molecular formula C27H26FN5O3 and a molecular weight of 487.54 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID134433196
Molecular FormulaC27H26FN5O3
Molecular Weight487.54 g/mol
Exact Mass487.20
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)cc1
InChIInChI=1S/C27H26FN5O3/c1-17-14-32(27(35)23-4-3-13-29-23)16-22-24(26(34)30-20-9-11-21(36-2)12-10-20)31-33(25(17)22)15-18-5-7-19(28)8-6-18/h3-13,17,29H,14-16H2,1-2H3,(H,30,34)
InChIKeyCQBKOHTVPSDGEA-UHFFFAOYSA-N
XLogP4.42
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (CID 134433196) is 1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is COc1ccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)CC3C)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is CQBKOHTVPSDGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O3/c1-17-14-32(27(35)23-4-3-13-29-23)16-22-24(26(34)30-20-9-11-21(36-2)12-10-20)31-33(25(17)22)15-18-5-7-19(28)8-6-18/h3-13,17,29H,14-16H2,1-2H3,(H,30,34).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 134433196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).