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

C28H29N5O2 — CID 139356344

IUPAC(7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2[C@H](C)CN(C(=O)c2ccc[nH]2)C3)cc1
InChIInChI=1S/C28H29N5O2/c1-18-9-11-21(12-10-18)16-33-26-20(3)15-32(28(35)24-8-5-13-29-24)17-23(26)25(31-33)27(34)30-22-7-4-6-19(2)14-22/h4-14,20,29H,15-17H2,1-3H3,(H,30,34)/t20-/m1/s1
InChIKeyFVFQFXAJHWRIOD-HXUWFJFHSA-N
MW467.57 g/mol
LogP4.89
Rot. Bonds5

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

(7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 139356344) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is (7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID139356344
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name(7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2[C@H](C)CN(C(=O)c2ccc[nH]2)C3)cc1
InChIInChI=1S/C28H29N5O2/c1-18-9-11-21(12-10-18)16-33-26-20(3)15-32(28(35)24-8-5-13-29-24)17-23(26)25(31-33)27(34)30-22-7-4-6-19(2)14-22/h4-14,20,29H,15-17H2,1-3H3,(H,30,34)/t20-/m1/s1
InChIKeyFVFQFXAJHWRIOD-HXUWFJFHSA-N
XLogP4.89
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)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 (7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of (7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (CID 139356344) is (7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for (7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for (7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is Cc1ccc(Cn2nc(C(=O)Nc3cccc(C)c3)c3c2[C@H](C)CN(C(=O)c2ccc[nH]2)C3)cc1.
What is the InChIKey of (7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is FVFQFXAJHWRIOD-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-18-9-11-21(12-10-18)16-33-26-20(3)15-32(28(35)24-8-5-13-29-24)17-23(26)25(31-33)27(34)30-22-7-4-6-19(2)14-22/h4-14,20,29H,15-17H2,1-3H3,(H,30,34)/t20-/m1/s1.
What are the key properties of (7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
(7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 139356344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).