(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone

C21H26N4O — CID 139513724

IUPAC(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
SMILESCN1CCc2c(C(=O)N3CC4CC(c5ccccc5)CC4C3)n[nH]c2C1
InChIInChI=1S/C21H26N4O/c1-24-8-7-18-19(13-24)22-23-20(18)21(26)25-11-16-9-15(10-17(16)12-25)14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3,(H,22,23)
InChIKeyHIJWHJVQPSLCBA-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.66
Rot. Bonds2

About (6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone

(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone (PubChem CID 139513724) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
PubChem CID139513724
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
SMILESCN1CCc2c(C(=O)N3CC4CC(c5ccccc5)CC4C3)n[nH]c2C1
InChIInChI=1S/C21H26N4O/c1-24-8-7-18-19(13-24)22-23-20(18)21(26)25-11-16-9-15(10-17(16)12-25)14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3,(H,22,23)
InChIKeyHIJWHJVQPSLCBA-UHFFFAOYSA-N
XLogP2.66
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone with MolForge

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Related Compounds

[(3aR,6aS)-2-[2-(trifluoromethyl)phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methanone
CID 86297024
[(3aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone
CID 130378121
[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 135191281
(4-phenylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 77090678
[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 86304123
(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone
CID 123931916
(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56752938
(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95215664
3,4-dihydro-1H-isoquinolin-2-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 7694246
(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazol-3-yl)methanone
CID 86303358
4-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202812

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
The IUPAC name of (6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone (CID 139513724) is (6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone.
What is the SMILES notation for (6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
The canonical SMILES for (6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone is CN1CCc2c(C(=O)N3CC4CC(c5ccccc5)CC4C3)n[nH]c2C1.
What is the InChIKey of (6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
The InChIKey is HIJWHJVQPSLCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-24-8-7-18-19(13-24)22-23-20(18)21(26)25-11-16-9-15(10-17(16)12-25)14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3,(H,22,23).
What are the key properties of (6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone?
(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone has a molecular weight of 350.47 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-(5-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone is sourced from PubChem (CID 139513724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).