1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C27H32N6O3 — CID 22318549

IUPAC1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCNCc1ccccc1N1CCC(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)CC1
InChIInChI=1S/C27H32N6O3/c1-29-17-18-5-3-4-6-23(18)31-14-11-19(12-15-31)32-16-13-22-24(26(28)34)30-33(25(22)27(32)35)20-7-9-21(36-2)10-8-20/h3-10,19,29H,11-17H2,1-2H3,(H2,28,34)
InChIKeyYNFFFTKJHNMRSM-UHFFFAOYSA-N
MW488.59 g/mol
LogP2.37
Rot. Bonds7

About 1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 22318549) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID22318549
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCNCc1ccccc1N1CCC(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)CC1
InChIInChI=1S/C27H32N6O3/c1-29-17-18-5-3-4-6-23(18)31-14-11-19(12-15-31)32-16-13-22-24(26(28)34)30-33(25(22)27(32)35)20-7-9-21(36-2)10-8-20/h3-10,19,29H,11-17H2,1-2H3,(H2,28,34)
InChIKeyYNFFFTKJHNMRSM-UHFFFAOYSA-N
XLogP2.37
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 22318549) is 1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CNCc1ccccc1N1CCC(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)CC1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is YNFFFTKJHNMRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-29-17-18-5-3-4-6-23(18)31-14-11-19(12-15-31)32-16-13-22-24(26(28)34)30-33(25(22)27(32)35)20-7-9-21(36-2)10-8-20/h3-10,19,29H,11-17H2,1-2H3,(H2,28,34).
What are the key properties of 1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[1-[2-(methylaminomethyl)phenyl]piperidin-4-yl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 22318549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).