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

C25H27N5O3 — CID 44581362

IUPAC1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCNCC1(c2ccc(N3CCc4c(C(N)=O)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1
InChIInChI=1S/C25H27N5O3/c1-27-15-25(12-13-25)16-3-5-17(6-4-16)29-14-11-20-21(23(26)31)28-30(22(20)24(29)32)18-7-9-19(33-2)10-8-18/h3-10,27H,11-15H2,1-2H3,(H2,26,31)
InChIKeyGXFDTYKWAIFLIR-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.43
Rot. Bonds7

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

1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 44581362) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID44581362
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCNCC1(c2ccc(N3CCc4c(C(N)=O)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1
InChIInChI=1S/C25H27N5O3/c1-27-15-25(12-13-25)16-3-5-17(6-4-16)29-14-11-20-21(23(26)31)28-30(22(20)24(29)32)18-7-9-19(33-2)10-8-18/h3-10,27H,11-15H2,1-2H3,(H2,26,31)
InChIKeyGXFDTYKWAIFLIR-UHFFFAOYSA-N
XLogP2.43
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 20872059
1-(4-methoxyphenyl)-6-(1-{2-[(methylamino)methyl]phenyl}-4-piperidinyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 44581362) is 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CNCC1(c2ccc(N3CCc4c(C(N)=O)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is GXFDTYKWAIFLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-27-15-25(12-13-25)16-3-5-17(6-4-16)29-14-11-20-21(23(26)31)28-30(22(20)24(29)32)18-7-9-19(33-2)10-8-18/h3-10,27H,11-15H2,1-2H3,(H2,26,31).
What are the key properties of 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 44581362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).