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

C31H31N5O3 — CID 23636370

IUPAC1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CCCC4)cc2)CC3)cc1
InChIInChI=1S/C31H31N5O3/c1-39-25-14-12-24(13-15-25)36-29-27(28(33-36)30(32)37)16-19-35(31(29)38)23-10-8-21(9-11-23)26-7-3-2-6-22(26)20-34-17-4-5-18-34/h2-3,6-15H,4-5,16-20H2,1H3,(H2,32,37)
InChIKeyAZWOHKZXJMIDFB-UHFFFAOYSA-N
MW521.62 g/mol
LogP4.45
Rot. Bonds7

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

1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 23636370) has the molecular formula C31H31N5O3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID23636370
Molecular FormulaC31H31N5O3
Molecular Weight521.62 g/mol
Exact Mass521.24
IUPAC Name1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CCCC4)cc2)CC3)cc1
InChIInChI=1S/C31H31N5O3/c1-39-25-14-12-24(13-15-25)36-29-27(28(33-36)30(32)37)16-19-35(31(29)38)23-10-8-21(9-11-23)26-7-3-2-6-22(26)20-34-17-4-5-18-34/h2-3,6-15H,4-5,16-20H2,1H3,(H2,32,37)
InChIKeyAZWOHKZXJMIDFB-UHFFFAOYSA-N
XLogP4.45
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.62
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 23636370) is 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CCCC4)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is AZWOHKZXJMIDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O3/c1-39-25-14-12-24(13-15-25)36-29-27(28(33-36)30(32)37)16-19-35(31(29)38)23-10-8-21(9-11-23)26-7-3-2-6-22(26)20-34-17-4-5-18-34/h2-3,6-15H,4-5,16-20H2,1H3,(H2,32,37).
What are the key properties of 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 521.62 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 23636370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).