6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one

C27H36N6O2 — CID 138374496

IUPAC6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
SMILESCOc1cc(C2NNC3CC4NC(=O)N([C@@H]5CCCN(Cc6ccccc6)C5)CC4CC32)ccn1
InChIInChI=1S/C27H36N6O2/c1-35-25-13-19(9-10-28-25)26-22-12-20-16-33(27(34)29-23(20)14-24(22)30-31-26)21-8-5-11-32(17-21)15-18-6-3-2-4-7-18/h2-4,6-7,9-10,13,20-24,26,30-31H,5,8,11-12,14-17H2,1H3,(H,29,34)/t20?,21-,22?,23?,24?,26?/m1/s1
InChIKeySKTBABWYPWACAY-XNXBREPBSA-N
MW476.63 g/mol
LogP2.69
Rot. Bonds5

About 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one

6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one (PubChem CID 138374496) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one.

Molecular Properties

Compound Name6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
PubChem CID138374496
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC Name6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
SMILESCOc1cc(C2NNC3CC4NC(=O)N([C@@H]5CCCN(Cc6ccccc6)C5)CC4CC32)ccn1
InChIInChI=1S/C27H36N6O2/c1-35-25-13-19(9-10-28-25)26-22-12-20-16-33(27(34)29-23(20)14-24(22)30-31-26)21-8-5-11-32(17-21)15-18-6-3-2-4-7-18/h2-4,6-7,9-10,13,20-24,26,30-31H,5,8,11-12,14-17H2,1H3,(H,29,34)/t20?,21-,22?,23?,24?,26?/m1/s1
InChIKeySKTBABWYPWACAY-XNXBREPBSA-N
XLogP2.69
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374431
6-[(3R)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374442
6-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374488
6-benzyl-3-(2,6-dimethyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374478
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970715
6-[(3-chlorophenyl)methyl]-3-(2-methoxypyrimidin-5-yl)-1,2,3,3a,4,4a,5,7,9,9a,10,10a-dodecahydro-[1,4]diazepino[6,5-f]indazol-8-one
CID 138374393
2-[4-[[3-(2-methyl-4-pyridinyl)-7-oxo-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-6-yl]methyl]phenyl]acetonitrile
CID 138374365
1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
4-[[3-(2-methyl-4-pyridinyl)-7-oxo-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-6-yl]methyl]benzonitrile
CID 138374353
6-[(4-fluorophenyl)methyl]-3-(2-methoxypyrimidin-5-yl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374371
2-[(2-methoxy-4-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939483
6-[2-(3-chlorophenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374382

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one?
The IUPAC name of 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one (CID 138374496) is 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one.
What is the SMILES notation for 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one?
The canonical SMILES for 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one is COc1cc(C2NNC3CC4NC(=O)N([C@@H]5CCCN(Cc6ccccc6)C5)CC4CC32)ccn1.
What is the InChIKey of 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one?
The InChIKey is SKTBABWYPWACAY-XNXBREPBSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-35-25-13-19(9-10-28-25)26-22-12-20-16-33(27(34)29-23(20)14-24(22)30-31-26)21-8-5-11-32(17-21)15-18-6-3-2-4-7-18/h2-4,6-7,9-10,13,20-24,26,30-31H,5,8,11-12,14-17H2,1H3,(H,29,34)/t20?,21-,22?,23?,24?,26?/m1/s1.
What are the key properties of 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one?
6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one has a molecular weight of 476.63 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one is sourced from PubChem (CID 138374496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).