[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone

C19H22F2N4O — CID 95201626

IUPAC[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone
SMILESC[C@]1(C(=O)N2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)CCCNC1
InChIInChI=1S/C19H22F2N4O/c1-19(6-2-7-22-11-19)18(26)25-8-5-16-13(10-25)17(24-23-16)12-3-4-14(20)15(21)9-12/h3-4,9,22H,2,5-8,10-11H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyGDWZNYNISHHOLL-IBGZPJMESA-N
MW360.41 g/mol
LogP2.63
Rot. Bonds2

About [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone

[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone (PubChem CID 95201626) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone
PubChem CID95201626
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone
SMILESC[C@]1(C(=O)N2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)CCCNC1
InChIInChI=1S/C19H22F2N4O/c1-19(6-2-7-22-11-19)18(26)25-8-5-16-13(10-25)17(24-23-16)12-3-4-14(20)15(21)9-12/h3-4,9,22H,2,5-8,10-11H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyGDWZNYNISHHOLL-IBGZPJMESA-N
XLogP2.63
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[1-(pyrazol-1-ylmethyl)cyclopropyl]methanone
CID 56758757
1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone
CID 42518368
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone
CID 25285988
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 108726007
4-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56759112
N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide
CID 56753411
2,2,2-trichloro-1-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 108725831
[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(5-methyl-3-pyridinyl)methanone
CID 46989048
2-(4-bromophenyl)-1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 108726070
6-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 56757047
2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56754669
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946056

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone?
The IUPAC name of [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone (CID 95201626) is [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone.
What is the SMILES notation for [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone?
The canonical SMILES for [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone is C[C@]1(C(=O)N2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)CCCNC1.
What is the InChIKey of [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone?
The InChIKey is GDWZNYNISHHOLL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22F2N4O/c1-19(6-2-7-22-11-19)18(26)25-8-5-16-13(10-25)17(24-23-16)12-3-4-14(20)15(21)9-12/h3-4,9,22H,2,5-8,10-11H2,1H3,(H,23,24)/t19-/m0/s1.
What are the key properties of [3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone?
[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(3S)-3-methylpiperidin-3-yl]methanone has a molecular weight of 360.41 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 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]-[(3S)-3-methylpiperidin-3-yl]methanone is sourced from PubChem (CID 95201626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).