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[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

C24H22F3N5O — CID 146457839

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[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
SMILESCC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1ccnc2c1ccn2CCF
InChIInChI=1S/C24H22F3N5O/c1-14-21-20(22(30(2)29-21)15-11-16(26)13-17(27)12-15)5-9-32(14)24(33)19-3-7-28-23-18(19)4-8-31(23)10-6-25/h3-4,7-8,11-14H,5-6,9-10H2,1-2H3
InChIKeyQCCZDVWOKJCPRQ-UHFFFAOYSA-N
MW453.47 g/mol
LogP4.44
Rot. Bonds4

About [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

[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 (PubChem CID 146457839) has the molecular formula C24H22F3N5O and a molecular weight of 453.47 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-fluoroethyl)pyrrolo[2,3-b]pyridin-4-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-fluoroethyl)pyrrolo[2,3-b]pyridin-4-yl]methanone
PubChem CID146457839
Molecular FormulaC24H22F3N5O
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC Name[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
SMILESCC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1ccnc2c1ccn2CCF
InChIInChI=1S/C24H22F3N5O/c1-14-21-20(22(30(2)29-21)15-11-16(26)13-17(27)12-15)5-9-32(14)24(33)19-3-7-28-23-18(19)4-8-31(23)10-6-25/h3-4,7-8,11-14H,5-6,9-10H2,1-2H3
InChIKeyQCCZDVWOKJCPRQ-UHFFFAOYSA-N
XLogP4.44
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [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 with MolForge

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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-fluoroethyl)pyrrolo[2,3-b]pyridin-4-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-fluoroethyl)pyrrolo[2,3-b]pyridin-4-yl]methanone (CID 146457839) is [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.
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-fluoroethyl)pyrrolo[2,3-b]pyridin-4-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-fluoroethyl)pyrrolo[2,3-b]pyridin-4-yl]methanone is CC1c2nn(C)c(-c3cc(F)cc(F)c3)c2CCN1C(=O)c1ccnc2c1ccn2CCF.
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-fluoroethyl)pyrrolo[2,3-b]pyridin-4-yl]methanone?
The InChIKey is QCCZDVWOKJCPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O/c1-14-21-20(22(30(2)29-21)15-11-16(26)13-17(27)12-15)5-9-32(14)24(33)19-3-7-28-23-18(19)4-8-31(23)10-6-25/h3-4,7-8,11-14H,5-6,9-10H2,1-2H3.
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-fluoroethyl)pyrrolo[2,3-b]pyridin-4-yl]methanone?
[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 has a molecular weight of 453.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 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-fluoroethyl)pyrrolo[2,3-b]pyridin-4-yl]methanone is sourced from PubChem (CID 146457839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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