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

C24H27N5O3 — CID 46391555

IUPAC3-[(N-acetylanilino)methyl]-N-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3c(c(CN(C(C)=O)c4ccccc4)nn3C)C2)cc1
InChIInChI=1S/C24H27N5O3/c1-17(30)29(19-7-5-4-6-8-19)16-22-21-15-28(14-13-23(21)27(2)26-22)24(31)25-18-9-11-20(32-3)12-10-18/h4-12H,13-16H2,1-3H3,(H,25,31)
InChIKeyPVNKWOCZGIRFGV-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.57
Rot. Bonds5

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

3-[(N-acetylanilino)methyl]-N-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 46391555) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-[(N-acetylanilino)methyl]-N-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(N-acetylanilino)methyl]-N-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID46391555
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name3-[(N-acetylanilino)methyl]-N-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3c(c(CN(C(C)=O)c4ccccc4)nn3C)C2)cc1
InChIInChI=1S/C24H27N5O3/c1-17(30)29(19-7-5-4-6-8-19)16-22-21-15-28(14-13-23(21)27(2)26-22)24(31)25-18-9-11-20(32-3)12-10-18/h4-12H,13-16H2,1-3H3,(H,25,31)
InChIKeyPVNKWOCZGIRFGV-UHFFFAOYSA-N
XLogP3.57
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(N-acetylanilino)methyl]-N-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[(N-acetylanilino)methyl]-N-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 46391555) is 3-[(N-acetylanilino)methyl]-N-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(N-acetylanilino)methyl]-N-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[(N-acetylanilino)methyl]-N-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is COc1ccc(NC(=O)N2CCc3c(c(CN(C(C)=O)c4ccccc4)nn3C)C2)cc1.
What is the InChIKey of 3-[(N-acetylanilino)methyl]-N-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is PVNKWOCZGIRFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-17(30)29(19-7-5-4-6-8-19)16-22-21-15-28(14-13-23(21)27(2)26-22)24(31)25-18-9-11-20(32-3)12-10-18/h4-12H,13-16H2,1-3H3,(H,25,31).
What are the key properties of 3-[(N-acetylanilino)methyl]-N-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[(N-acetylanilino)methyl]-N-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-acetylanilino)methyl]-N-(4-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 46391555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).