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

C26H23ClFN5O2 — CID 134433193

IUPACN-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCC1CN(C(=O)c2ccc[nH]2)Cc2c(C(=O)Nc3ccc(Cl)cc3)nn(Cc3ccc(F)cc3)c21
InChIInChI=1S/C26H23ClFN5O2/c1-16-13-32(26(35)22-3-2-12-29-22)15-21-23(25(34)30-20-10-6-18(27)7-11-20)31-33(24(16)21)14-17-4-8-19(28)9-5-17/h2-12,16,29H,13-15H2,1H3,(H,30,34)
InChIKeyAFQAPBBMJITGOW-UHFFFAOYSA-N
MW491.95 g/mol
LogP5.06
Rot. Bonds5

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

N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 134433193) has the molecular formula C26H23ClFN5O2 and a molecular weight of 491.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID134433193
Molecular FormulaC26H23ClFN5O2
Molecular Weight491.95 g/mol
Exact Mass491.15
IUPAC NameN-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCC1CN(C(=O)c2ccc[nH]2)Cc2c(C(=O)Nc3ccc(Cl)cc3)nn(Cc3ccc(F)cc3)c21
InChIInChI=1S/C26H23ClFN5O2/c1-16-13-32(26(35)22-3-2-12-29-22)15-21-23(25(34)30-20-10-6-18(27)7-11-20)31-33(24(16)21)14-17-4-8-19(28)9-5-17/h2-12,16,29H,13-15H2,1H3,(H,30,34)
InChIKeyAFQAPBBMJITGOW-UHFFFAOYSA-N
XLogP5.06
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.95
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (CID 134433193) is N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is CC1CN(C(=O)c2ccc[nH]2)Cc2c(C(=O)Nc3ccc(Cl)cc3)nn(Cc3ccc(F)cc3)c21.
What is the InChIKey of N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is AFQAPBBMJITGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O2/c1-16-13-32(26(35)22-3-2-12-29-22)15-21-23(25(34)30-20-10-6-18(27)7-11-20)31-33(24(16)21)14-17-4-8-19(28)9-5-17/h2-12,16,29H,13-15H2,1H3,(H,30,34).
What are the key properties of N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 491.95 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 134433193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).