1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one

C23H28N4O2 — CID 137010576

IUPAC1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCC1(C)CCCC1n1nc(-c2ccc(N3CCOCC3)cc2)c2c(=O)[nH]ccc21
InChIInChI=1S/C23H28N4O2/c1-23(2)10-3-4-19(23)27-18-9-11-24-22(28)20(18)21(25-27)16-5-7-17(8-6-16)26-12-14-29-15-13-26/h5-9,11,19H,3-4,10,12-15H2,1-2H3,(H,24,28)
InChIKeyBKCSNGJNSZLMKY-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.98
Rot. Bonds3

About 1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one

1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 137010576) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID137010576
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCC1(C)CCCC1n1nc(-c2ccc(N3CCOCC3)cc2)c2c(=O)[nH]ccc21
InChIInChI=1S/C23H28N4O2/c1-23(2)10-3-4-19(23)27-18-9-11-24-22(28)20(18)21(25-27)16-5-7-17(8-6-16)26-12-14-29-15-13-26/h5-9,11,19H,3-4,10,12-15H2,1-2H3,(H,24,28)
InChIKeyBKCSNGJNSZLMKY-UHFFFAOYSA-N
XLogP3.98
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one with MolForge

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Related Compounds

4-[4-[2-(2,2-dimethylcyclopentyl)-3,4-dihydropyrazol-5-yl]phenyl]morpholine
CID 142794129
3-(4-aminosulfanylphenyl)-1-(oxolan-3-yl)-5H-pyrazolo[4,3-c]pyridin-4-one;dihydrate
CID 162338575
3-(4-aminosulfanylphenyl)-1-(4-ethyl-4-hydroxycyclohexyl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137160756
4-[4-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]morpholin-3-one
CID 137010718
3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile
CID 137010645
3-(1-cyclopentyl-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl)benzamide
CID 137010699
3-[1-hydroxy-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]-4-methyl-1H-pyridin-2-one
CID 143097835
4-[1-(oxetan-3-ylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzenesulfonamide
CID 137010796
4-(4-morpholin-4-ylphenyl)piperazine-2,6-dione
CID 63787858
2-(4-hydroxypiperidin-1-yl)-4-(4-morpholin-4-ylanilino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58494192
3-methyl-1-(4-morpholin-4-ylphenyl)piperazine-2,5-dione
CID 64970576
3-[4-(2,2-dimethylpyrrolidin-1-yl)sulfanylanilino]-1-(oxan-3-yl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137288673

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one (CID 137010576) is 1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one is CC1(C)CCCC1n1nc(-c2ccc(N3CCOCC3)cc2)c2c(=O)[nH]ccc21.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is BKCSNGJNSZLMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-23(2)10-3-4-19(23)27-18-9-11-24-22(28)20(18)21(25-27)16-5-7-17(8-6-16)26-12-14-29-15-13-26/h5-9,11,19H,3-4,10,12-15H2,1-2H3,(H,24,28).
What are the key properties of 1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one?
1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 392.50 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-3-(4-morpholin-4-ylphenyl)-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 137010576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).