(5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

C25H30FN5O — CID 170126289

IUPAC(5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
SMILESCCC1Cc2c(nn(C)c2-c2cc(C)cc(F)c2)C(C)N1C(=O)c1cnn(C)c1C1CC1
InChIInChI=1S/C25H30FN5O/c1-6-19-12-20-22(28-30(5)24(20)17-9-14(2)10-18(26)11-17)15(3)31(19)25(32)21-13-27-29(4)23(21)16-7-8-16/h9-11,13,15-16,19H,6-8,12H2,1-5H3
InChIKeyWXDYBHKRWWORLE-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.68
Rot. Bonds4

About (5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone

(5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (PubChem CID 170126289) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is (5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
PubChem CID170126289
Molecular FormulaC25H30FN5O
Molecular Weight435.55 g/mol
Exact Mass435.24
IUPAC Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
SMILESCCC1Cc2c(nn(C)c2-c2cc(C)cc(F)c2)C(C)N1C(=O)c1cnn(C)c1C1CC1
InChIInChI=1S/C25H30FN5O/c1-6-19-12-20-22(28-30(5)24(20)17-9-14(2)10-18(26)11-17)15(3)31(19)25(32)21-13-27-29(4)23(21)16-7-8-16/h9-11,13,15-16,19H,6-8,12H2,1-5H3
InChIKeyWXDYBHKRWWORLE-UHFFFAOYSA-N
XLogP4.68
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone with MolForge

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Related Compounds

(5-cyclopropyl-1-methylpyrazol-4-yl)-[(1S,8R)-5-(3,5-difluorophenyl)-4-methyl-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
CID 146455206
[5-ethyl-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 170126381
[3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(5-methoxy-3-pyridinyl)methanone
CID 146480485
[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 146480799
[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanone
CID 170125747
[3-(3,5-difluorophenyl)-5,7-diethyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(8-hydroxyquinolin-6-yl)methanone
CID 146480615
(5-methylpyrazolo[1,5-a]pyridin-3-yl)-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]methanone
CID 146480254
[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methylquinazolin-4-yl)methanone
CID 146491825
[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-methyl-3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 170125742
[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 146456981
[5,7-diethyl-2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]methanone
CID 146491566
[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 146480710

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone (CID 170126289) is (5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is CCC1Cc2c(nn(C)c2-c2cc(C)cc(F)c2)C(C)N1C(=O)c1cnn(C)c1C1CC1.
What is the InChIKey of (5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
The InChIKey is WXDYBHKRWWORLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O/c1-6-19-12-20-22(28-30(5)24(20)17-9-14(2)10-18(26)11-17)15(3)31(19)25(32)21-13-27-29(4)23(21)16-7-8-16/h9-11,13,15-16,19H,6-8,12H2,1-5H3.
What are the key properties of (5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone?
(5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone has a molecular weight of 435.55 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-methylpyrazol-4-yl)-[5-ethyl-3-(3-fluoro-5-methylphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 170126289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).