6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide

C21H22FN5O — CID 56749115

IUPAC6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCc3[nH]nc(-c4cccc(F)c4)c3C2)nc1
InChIInChI=1S/C21H22FN5O/c1-2-9-23-21(28)15-6-7-19(24-12-15)27-10-8-18-17(13-27)20(26-25-18)14-4-3-5-16(22)11-14/h3-7,11-12H,2,8-10,13H2,1H3,(H,23,28)(H,25,26)
InChIKeyIMIGZVBQFOWHGP-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.31
Rot. Bonds5

About 6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide

6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide (PubChem CID 56749115) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide
PubChem CID56749115
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCc3[nH]nc(-c4cccc(F)c4)c3C2)nc1
InChIInChI=1S/C21H22FN5O/c1-2-9-23-21(28)15-6-7-19(24-12-15)27-10-8-18-17(13-27)20(26-25-18)14-4-3-5-16(22)11-14/h3-7,11-12H,2,8-10,13H2,1H3,(H,23,28)(H,25,26)
InChIKeyIMIGZVBQFOWHGP-UHFFFAOYSA-N
XLogP3.31
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide with MolForge

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Related Compounds

1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone
CID 31016341
N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 133422541
6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 75371100
N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide
CID 56753411
6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide
CID 50965940
2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]quinoxaline
CID 108771574
N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267282
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 50783465
4-chloro-N-[2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 108750016
6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide
CID 37360268
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-propylbenzamide
CID 50826628
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 108726007

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide (CID 56749115) is 6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(N2CCc3[nH]nc(-c4cccc(F)c4)c3C2)nc1.
What is the InChIKey of 6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide?
The InChIKey is IMIGZVBQFOWHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-2-9-23-21(28)15-6-7-19(24-12-15)27-10-8-18-17(13-27)20(26-25-18)14-4-3-5-16(22)11-14/h3-7,11-12H,2,8-10,13H2,1H3,(H,23,28)(H,25,26).
What are the key properties of 6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide?
6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 56749115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).