1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C24H22FN5O3 — CID 122498653

IUPAC1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cccc(F)c1-n1nc(C(N)=O)c2c1C(=O)N(c1ccc(N3CCCC3=O)cc1)CC2
InChIInChI=1S/C24H22FN5O3/c1-14-4-2-5-18(25)21(14)30-22-17(20(27-30)23(26)32)11-13-29(24(22)33)16-9-7-15(8-10-16)28-12-3-6-19(28)31/h2,4-5,7-10H,3,6,11-13H2,1H3,(H2,26,32)
InChIKeyAJLFBCUXSCMJBU-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.75
Rot. Bonds4

About 1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 122498653) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID122498653
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cccc(F)c1-n1nc(C(N)=O)c2c1C(=O)N(c1ccc(N3CCCC3=O)cc1)CC2
InChIInChI=1S/C24H22FN5O3/c1-14-4-2-5-18(25)21(14)30-22-17(20(27-30)23(26)32)11-13-29(24(22)33)16-9-7-15(8-10-16)28-12-3-6-19(28)31/h2,4-5,7-10H,3,6,11-13H2,1H3,(H2,26,32)
InChIKeyAJLFBCUXSCMJBU-UHFFFAOYSA-N
XLogP2.75
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-difluorophenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086939
1-(2,6-difluorophenyl)-6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086993
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087094
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20816131
1-(2-methoxyphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086891
1-(4-methoxy-2-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 122498651
ethane;1-(4-methylsulfanylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 144843507
1-(3-chlorophenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 10161894
6-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-(4-methylphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086860
1-(4-methylthiophen-2-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 122482904
1-(2-fluorophenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 144843497
1-(4-fluoro-2-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087043

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 122498653) is 1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is Cc1cccc(F)c1-n1nc(C(N)=O)c2c1C(=O)N(c1ccc(N3CCCC3=O)cc1)CC2.
What is the InChIKey of 1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is AJLFBCUXSCMJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-14-4-2-5-18(25)21(14)30-22-17(20(27-30)23(26)32)11-13-29(24(22)33)16-9-7-15(8-10-16)28-12-3-6-19(28)31/h2,4-5,7-10H,3,6,11-13H2,1H3,(H2,26,32).
What are the key properties of 1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 122498653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).