(3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone

C23H25ClN4O — CID 118893952

IUPAC(3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
SMILESCn1nc2c(c1-c1ccncc1)CCN(C(=O)c1cccc(C(C)(C)C)c1Cl)C2
InChIInChI=1S/C23H25ClN4O/c1-23(2,3)18-7-5-6-17(20(18)24)22(29)28-13-10-16-19(14-28)26-27(4)21(16)15-8-11-25-12-9-15/h5-9,11-12H,10,13-14H2,1-4H3
InChIKeyXPHBVXAGQLKRGV-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.63
Rot. Bonds2

About (3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone

(3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone (PubChem CID 118893952) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is (3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
PubChem CID118893952
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC Name(3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
SMILESCn1nc2c(c1-c1ccncc1)CCN(C(=O)c1cccc(C(C)(C)C)c1Cl)C2
InChIInChI=1S/C23H25ClN4O/c1-23(2,3)18-7-5-6-17(20(18)24)22(29)28-13-10-16-19(14-28)26-27(4)21(16)15-8-11-25-12-9-15/h5-9,11-12H,10,13-14H2,1-4H3
InChIKeyXPHBVXAGQLKRGV-UHFFFAOYSA-N
XLogP4.63
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone with MolForge

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Related Compounds

[2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyrimidin-5-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 90408755
(2-chloro-3-methoxyphenyl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515459
(1-methylindol-4-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457330
1-benzothiophen-7-yl-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457231
(4-chloro-1H-indol-3-yl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457879
(2-chloro-6-methoxyphenyl)-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457251
[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 146516213
[2-chloro-3-(trifluoromethyl)phenyl]-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)methanone
CID 129153076
[2-chloro-3-(trifluoromethyl)phenyl]-[4-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 86281677
[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-furo[3,2-b]pyridin-2-ylmethanone
CID 146515571
(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)-quinolin-2-ylmethanone
CID 146457223
(1-methylindazol-7-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515494

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The IUPAC name of (3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone (CID 118893952) is (3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone.
What is the SMILES notation for (3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The canonical SMILES for (3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone is Cn1nc2c(c1-c1ccncc1)CCN(C(=O)c1cccc(C(C)(C)C)c1Cl)C2.
What is the InChIKey of (3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
The InChIKey is XPHBVXAGQLKRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-23(2,3)18-7-5-6-17(20(18)24)22(29)28-13-10-16-19(14-28)26-27(4)21(16)15-8-11-25-12-9-15/h5-9,11-12H,10,13-14H2,1-4H3.
What are the key properties of (3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone?
(3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone has a molecular weight of 408.93 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2-chlorophenyl)-(2-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone is sourced from PubChem (CID 118893952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).