1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide

C14H15N5O2 — CID 142832886

IUPAC1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNCc1cccc(-n2nc(C(N)=O)c3c2C(=O)NCC3)c1
InChIInChI=1S/C14H15N5O2/c15-7-8-2-1-3-9(6-8)19-12-10(4-5-17-14(12)21)11(18-19)13(16)20/h1-3,6H,4-5,7,15H2,(H2,16,20)(H,17,21)
InChIKeyMXCKGSXCUOMBFF-UHFFFAOYSA-N
MW285.31 g/mol
LogP-0.28
Rot. Bonds3

About 1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide

1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 142832886) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID142832886
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNCc1cccc(-n2nc(C(N)=O)c3c2C(=O)NCC3)c1
InChIInChI=1S/C14H15N5O2/c15-7-8-2-1-3-9(6-8)19-12-10(4-5-17-14(12)21)11(18-19)13(16)20/h1-3,6H,4-5,7,15H2,(H2,16,20)(H,17,21)
InChIKeyMXCKGSXCUOMBFF-UHFFFAOYSA-N
XLogP-0.28
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide (CID 142832886) is 1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide is NCc1cccc(-n2nc(C(N)=O)c3c2C(=O)NCC3)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is MXCKGSXCUOMBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c15-7-8-2-1-3-9(6-8)19-12-10(4-5-17-14(12)21)11(18-19)13(16)20/h1-3,6H,4-5,7,15H2,(H2,16,20)(H,17,21).
What are the key properties of 1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide?
1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 285.31 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-7-oxo-5,6-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 142832886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).