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

C24H26FN5O2 — CID 134433396

IUPACN-(4-fluorophenyl)-7-methyl-1-[(Z)-pent-3-enyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESC/C=C\CCn1nc(C(=O)Nc2ccc(F)cc2)c2c1C(C)CN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C24H26FN5O2/c1-3-4-5-13-30-22-16(2)14-29(24(32)20-7-6-12-26-20)15-19(22)21(28-30)23(31)27-18-10-8-17(25)9-11-18/h3-4,6-12,16,26H,5,13-15H2,1-2H3,(H,27,31)/b4-3-
InChIKeyNVCGRLSOJMSACB-ARJAWSKDSA-N
MW435.50 g/mol
LogP4.33
Rot. Bonds6

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

N-(4-fluorophenyl)-7-methyl-1-[(Z)-pent-3-enyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 134433396) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-7-methyl-1-[(Z)-pent-3-enyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-7-methyl-1-[(Z)-pent-3-enyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
PubChem CID134433396
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC NameN-(4-fluorophenyl)-7-methyl-1-[(Z)-pent-3-enyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide
SMILESC/C=C\CCn1nc(C(=O)Nc2ccc(F)cc2)c2c1C(C)CN(C(=O)c1ccc[nH]1)C2
InChIInChI=1S/C24H26FN5O2/c1-3-4-5-13-30-22-16(2)14-29(24(32)20-7-6-12-26-20)15-19(22)21(28-30)23(31)27-18-10-8-17(25)9-11-18/h3-4,6-12,16,26H,5,13-15H2,1-2H3,(H,27,31)/b4-3-
InChIKeyNVCGRLSOJMSACB-ARJAWSKDSA-N
XLogP4.33
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-7-methyl-1-[(Z)-pent-3-enyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-7-methyl-1-[(Z)-pent-3-enyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide (CID 134433396) is N-(4-fluorophenyl)-7-methyl-1-[(Z)-pent-3-enyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-7-methyl-1-[(Z)-pent-3-enyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-7-methyl-1-[(Z)-pent-3-enyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is C/C=C\CCn1nc(C(=O)Nc2ccc(F)cc2)c2c1C(C)CN(C(=O)c1ccc[nH]1)C2.
What is the InChIKey of N-(4-fluorophenyl)-7-methyl-1-[(Z)-pent-3-enyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is NVCGRLSOJMSACB-ARJAWSKDSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-3-4-5-13-30-22-16(2)14-29(24(32)20-7-6-12-26-20)15-19(22)21(28-30)23(31)27-18-10-8-17(25)9-11-18/h3-4,6-12,16,26H,5,13-15H2,1-2H3,(H,27,31)/b4-3-.
What are the key properties of N-(4-fluorophenyl)-7-methyl-1-[(Z)-pent-3-enyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide?
N-(4-fluorophenyl)-7-methyl-1-[(Z)-pent-3-enyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-7-methyl-1-[(Z)-pent-3-enyl]-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 134433396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).