(2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone

C18H18Cl2N4O — CID 134686745

IUPAC(2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCC2C(C1)NNC2c1ccncc1
InChIInChI=1S/C18H18Cl2N4O/c19-14-3-1-2-13(16(14)20)18(25)24-9-6-12-15(10-24)22-23-17(12)11-4-7-21-8-5-11/h1-5,7-8,12,15,17,22-23H,6,9-10H2
InChIKeyYKRGGWYARMCBFX-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.07
Rot. Bonds2

About (2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone

(2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone (PubChem CID 134686745) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone
PubChem CID134686745
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC Name(2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCC2C(C1)NNC2c1ccncc1
InChIInChI=1S/C18H18Cl2N4O/c19-14-3-1-2-13(16(14)20)18(25)24-9-6-12-15(10-24)22-23-17(12)11-4-7-21-8-5-11/h1-5,7-8,12,15,17,22-23H,6,9-10H2
InChIKeyYKRGGWYARMCBFX-UHFFFAOYSA-N
XLogP3.07
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone with MolForge

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Related Compounds

(2,3-dichloro-4-pyridinyl)-(3-phenyl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone
CID 134686742
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 113226241
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119634833
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557
(4-bromo-3-methylpiperidin-1-yl)-(2,3-dichlorophenyl)methanone
CID 114683388
(3-bromopiperidin-1-yl)-(2,3-dichlorophenyl)methanone
CID 80659980
1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile
CID 49064699
(2,3-dichlorophenyl)-(1-pyrazin-2-yl-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl)methanone
CID 123699237
[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119464789
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460870
[3-(3-chlorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-(2-chloro-4-pyridinyl)methanone
CID 75259806
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119287862

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone (CID 134686745) is (2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone is O=C(c1cccc(Cl)c1Cl)N1CCC2C(C1)NNC2c1ccncc1.
What is the InChIKey of (2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone?
The InChIKey is YKRGGWYARMCBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O/c19-14-3-1-2-13(16(14)20)18(25)24-9-6-12-15(10-24)22-23-17(12)11-4-7-21-8-5-11/h1-5,7-8,12,15,17,22-23H,6,9-10H2.
What are the key properties of (2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone?
(2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone has a molecular weight of 377.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone is sourced from PubChem (CID 134686745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).