N-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide

C26H25N7O3 — CID 69107648

IUPACN-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide
SMILESCOc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(N4C=CCNC4NC(C)=O)cc2)CC3)cc1
InChIInChI=1S/C26H25N7O3/c1-17(34)29-26-28-13-3-14-32(26)19-6-4-18(5-7-19)31-15-12-22-23(16-27)30-33(24(22)25(31)35)20-8-10-21(36-2)11-9-20/h3-11,14,26,28H,12-13,15H2,1-2H3,(H,29,34)
InChIKeyQOYPLHPBBWLGNN-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.30
Rot. Bonds5

About N-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide

N-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide (PubChem CID 69107648) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide
PubChem CID69107648
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC NameN-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide
SMILESCOc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(N4C=CCNC4NC(C)=O)cc2)CC3)cc1
InChIInChI=1S/C26H25N7O3/c1-17(34)29-26-28-13-3-14-32(26)19-6-4-18(5-7-19)31-15-12-22-23(16-27)30-33(24(22)25(31)35)20-8-10-21(36-2)11-9-20/h3-11,14,26,28H,12-13,15H2,1-2H3,(H,29,34)
InChIKeyQOYPLHPBBWLGNN-UHFFFAOYSA-N
XLogP2.30
TPSA115.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide with MolForge

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Related Compounds

1-(4-methoxyphenyl)-6-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 44581363
1-(4-methoxyphenyl)-7-oxo-6-[4-[2-(propylaminomethyl)imidazol-1-yl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carbonitrile
CID 10184389
methyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
CID 175673444
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperazin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 141435084
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
1-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000409
1-(4-fluorophenyl)-6-(4-methoxyphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10619709
3-ethyl-6-(4-fluorophenyl)-1-(4-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 54151775
1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxoazepan-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000389
1-(4-methoxyphenyl)-6-[4-(2-methylpropanoylamino)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 175000319
3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 10161317
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide?
The IUPAC name of N-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide (CID 69107648) is N-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide is COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(N4C=CCNC4NC(C)=O)cc2)CC3)cc1.
What is the InChIKey of N-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide?
The InChIKey is QOYPLHPBBWLGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-17(34)29-26-28-13-3-14-32(26)19-6-4-18(5-7-19)31-15-12-22-23(16-27)30-33(24(22)25(31)35)20-8-10-21(36-2)11-9-20/h3-11,14,26,28H,12-13,15H2,1-2H3,(H,29,34).
What are the key properties of N-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide?
N-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide has a molecular weight of 483.53 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]phenyl]-2,6-dihydro-1H-pyrimidin-2-yl]acetamide is sourced from PubChem (CID 69107648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).