[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone

C25H24F2N4O2 — CID 146457091

IUPAC[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone
SMILESCC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1ccc2c(ccn2CCO)c1
InChIInChI=1S/C25H24F2N4O2/c1-15-23-21(24(29(2)28-23)18-12-19(26)14-20(27)13-18)6-8-31(15)25(33)17-3-4-22-16(11-17)5-7-30(22)9-10-32/h3-5,7,11-15,32H,6,8-10H2,1-2H3
InChIKeyIVTHYDYUXFUPIG-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.07
Rot. Bonds4

About [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone

[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone (PubChem CID 146457091) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone.

Molecular Properties

Compound Name[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone
PubChem CID146457091
Molecular FormulaC25H24F2N4O2
Molecular Weight450.49 g/mol
Exact Mass450.19
IUPAC Name[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone
SMILESCC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1ccc2c(ccn2CCO)c1
InChIInChI=1S/C25H24F2N4O2/c1-15-23-21(24(29(2)28-23)18-12-19(26)14-20(27)13-18)6-8-31(15)25(33)17-3-4-22-16(11-17)5-7-30(22)9-10-32/h3-5,7,11-15,32H,6,8-10H2,1-2H3
InChIKeyIVTHYDYUXFUPIG-UHFFFAOYSA-N
XLogP4.07
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone
CID 146457704
[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-fluoroethyl)pyrrolo[2,3-b]pyridin-4-yl]methanone
CID 146457839
[(7S)-3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-(18F)fluoroethyl)pyrrolo[2,3-b]pyridin-4-yl]methanone
CID 153470315
[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[2-fluoro-5-(2-fluoroethoxy)phenyl]methanone
CID 146457469
[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
[(7R)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146456707
4-[3-[(7S)-3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carbonyl]-5-fluorophenyl]-1H-pyrrole-2-carbonitrile
CID 168934892
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methoxy-4-pyridinyl)methanone
CID 146457565
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(6-methoxy-3-pyridinyl)methanone
CID 146456854
(5-chloroquinolin-6-yl)-[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146457693
(4-bromoquinolin-6-yl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146457013
[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(2-methyltriazolo[1,5-b]pyridazin-2-ium-3-yl)methanone
CID 170521861

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone?
The IUPAC name of [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone (CID 146457091) is [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone.
What is the SMILES notation for [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone?
The canonical SMILES for [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone is CC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1ccc2c(ccn2CCO)c1.
What is the InChIKey of [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone?
The InChIKey is IVTHYDYUXFUPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c1-15-23-21(24(29(2)28-23)18-12-19(26)14-20(27)13-18)6-8-31(15)25(33)17-3-4-22-16(11-17)5-7-30(22)9-10-32/h3-5,7,11-15,32H,6,8-10H2,1-2H3.
What are the key properties of [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone?
[3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone has a molecular weight of 450.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[1-(2-hydroxyethyl)indol-5-yl]methanone is sourced from PubChem (CID 146457091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).