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

C27H29N5O3 — CID 59020077

IUPAC1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(N5CCCC5)CC4)cc2)CC3)cc1
InChIInChI=1S/C27H29N5O3/c1-35-21-10-8-20(9-11-21)32-24-22(23(29-32)25(28)33)12-17-31(26(24)34)19-6-4-18(5-7-19)27(13-14-27)30-15-2-3-16-30/h4-11H,2-3,12-17H2,1H3,(H2,28,33)
InChIKeyJIZXUNORDHUYKJ-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.27
Rot. Bonds6

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

1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 59020077) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID59020077
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(N5CCCC5)CC4)cc2)CC3)cc1
InChIInChI=1S/C27H29N5O3/c1-35-21-10-8-20(9-11-21)32-24-22(23(29-32)25(28)33)12-17-31(26(24)34)19-6-4-18(5-7-19)27(13-14-27)30-15-2-3-16-30/h4-11H,2-3,12-17H2,1H3,(H2,28,33)
InChIKeyJIZXUNORDHUYKJ-UHFFFAOYSA-N
XLogP3.27
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[1-(2-amino-2-oxoethyl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 44581328
6-[4-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N-hydroxyanilino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 126495801
3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 158695238
6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 59020199
6-[4-(3,3,4,4,5,5-hexadeuterio-2-oxopiperidin-1-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 89059700
N,N-dideuterio-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 25208012
1-(4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086878
4,4-dideuterio-6-[4-(3,3-dideuterio-2-oxopiperidin-1-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-5H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 89059681
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000389
4-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]anilino]butanoic acid
CID 163203151
1-(4-methoxyphenyl)-6-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 44581592
1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000409

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 59020077) is 1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(N5CCCC5)CC4)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is JIZXUNORDHUYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-35-21-10-8-20(9-11-21)32-24-22(23(29-32)25(28)33)12-17-31(26(24)34)19-6-4-18(5-7-19)27(13-14-27)30-15-2-3-16-30/h4-11H,2-3,12-17H2,1H3,(H2,28,33).
What are the key properties of 1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 3.27, 6 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-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 59020077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).