[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone

C20H19F2N5O — CID 56758757

IUPAC[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
SMILESO=C(N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)C1(Cn2cccn2)CC1
InChIInChI=1S/C20H19F2N5O/c21-15-3-2-13(10-16(15)22)18-14-11-26(9-4-17(14)24-25-18)19(28)20(5-6-20)12-27-8-1-7-23-27/h1-3,7-8,10H,4-6,9,11-12H2,(H,24,25)
InChIKeyDBIMADSBXUBUOQ-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.92
Rot. Bonds4

About [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone

[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone (PubChem CID 56758757) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
PubChem CID56758757
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC Name[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
SMILESO=C(N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)C1(Cn2cccn2)CC1
InChIInChI=1S/C20H19F2N5O/c21-15-3-2-13(10-16(15)22)18-14-11-26(9-4-17(14)24-25-18)19(28)20(5-6-20)12-27-8-1-7-23-27/h1-3,7-8,10H,4-6,9,11-12H2,(H,24,25)
InChIKeyDBIMADSBXUBUOQ-UHFFFAOYSA-N
XLogP2.92
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone
CID 95201626
1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone
CID 42518368
N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide
CID 56753411
2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56754669
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 108726007
(1-ethylpyrazol-3-yl)-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 53185495
4-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56759112
(2-chlorophenyl)-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750151
ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 108725868
[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 31161481
6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 56757047
(3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750013

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The IUPAC name of [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone (CID 56758757) is [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone.
What is the SMILES notation for [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The canonical SMILES for [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone is O=C(N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1)C1(Cn2cccn2)CC1.
What is the InChIKey of [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
The InChIKey is DBIMADSBXUBUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c21-15-3-2-13(10-16(15)22)18-14-11-26(9-4-17(14)24-25-18)19(28)20(5-6-20)12-27-8-1-7-23-27/h1-3,7-8,10H,4-6,9,11-12H2,(H,24,25).
What are the key properties of [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone?
[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone has a molecular weight of 383.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone is sourced from PubChem (CID 56758757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).