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

C27H26FN5O2 — CID 91864712

IUPAC(7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@H]3C)c1
InChIInChI=1S/C27H26FN5O2/c1-17-5-3-6-21(13-17)30-26(34)24-22-16-32(27(35)23-7-4-12-29-23)14-18(2)25(22)33(31-24)15-19-8-10-20(28)11-9-19/h3-13,18,29H,14-16H2,1-2H3,(H,30,34)/t18-/m1/s1
InChIKeyYUIMODWIUGMREH-GOSISDBHSA-N
MW471.54 g/mol
LogP4.72
Rot. Bonds5

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

(7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 91864712) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is (7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID91864712
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC Name(7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@H]3C)c1
InChIInChI=1S/C27H26FN5O2/c1-17-5-3-6-21(13-17)30-26(34)24-22-16-32(27(35)23-7-4-12-29-23)14-18(2)25(22)33(31-24)15-19-8-10-20(28)11-9-19/h3-13,18,29H,14-16H2,1-2H3,(H,30,34)/t18-/m1/s1
InChIKeyYUIMODWIUGMREH-GOSISDBHSA-N
XLogP4.72
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of (7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (CID 91864712) is (7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for (7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for (7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is Cc1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@H]3C)c1.
What is the InChIKey of (7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is YUIMODWIUGMREH-GOSISDBHSA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-17-5-3-6-21(13-17)30-26(34)24-22-16-32(27(35)23-7-4-12-29-23)14-18(2)25(22)33(31-24)15-19-8-10-20(28)11-9-19/h3-13,18,29H,14-16H2,1-2H3,(H,30,34)/t18-/m1/s1.
What are the key properties of (7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
(7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-[(4-fluorophenyl)methyl]-7-methyl-N-(3-methylphenyl)-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 91864712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).