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

C22H20ClFN4O2 — CID 108750045

IUPAC4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1)Nc1ccc(F)cc1
InChIInChI=1S/C22H20ClFN4O2/c23-15-3-1-2-14(12-15)22-18-13-28(11-10-19(18)26-27-22)21(30)9-8-20(29)25-17-6-4-16(24)5-7-17/h1-7,12H,8-11,13H2,(H,25,29)(H,26,27)
InChIKeyROMUQRLMHKIEJJ-UHFFFAOYSA-N
MW426.88 g/mol
LogP4.17
Rot. Bonds5

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

4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 108750045) has the molecular formula C22H20ClFN4O2 and a molecular weight of 426.88 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(4-fluorophenyl)-4-oxobutanamide
PubChem CID108750045
Molecular FormulaC22H20ClFN4O2
Molecular Weight426.88 g/mol
Exact Mass426.13
IUPAC Name4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1)Nc1ccc(F)cc1
InChIInChI=1S/C22H20ClFN4O2/c23-15-3-1-2-14(12-15)22-18-13-28(11-10-19(18)26-27-22)21(30)9-8-20(29)25-17-6-4-16(24)5-7-17/h1-7,12H,8-11,13H2,(H,25,29)(H,26,27)
InChIKeyROMUQRLMHKIEJJ-UHFFFAOYSA-N
XLogP4.17
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 108725868
4-chloro-N-[2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 108750016
(3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750013
2,2,2-trichloro-1-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 108725831
prop-2-enyl 3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 108725865
1-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 108750094
2,4-dichloro-N-[2-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 108750017
3-(3-chlorophenyl)-N-prop-2-enyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbothioamide
CID 108780228
1-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(2-nitrophenoxy)ethanone
CID 108725892
N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442894
N-(3-chlorophenyl)-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442798
[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 108725845

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(4-fluorophenyl)-4-oxobutanamide (CID 108750045) is 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(4-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)N1CCc2[nH]nc(-c3cccc(Cl)c3)c2C1)Nc1ccc(F)cc1.
What is the InChIKey of 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is ROMUQRLMHKIEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O2/c23-15-3-1-2-14(12-15)22-18-13-28(11-10-19(18)26-27-22)21(30)9-8-20(29)25-17-6-4-16(24)5-7-17/h1-7,12H,8-11,13H2,(H,25,29)(H,26,27).
What are the key properties of 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(4-fluorophenyl)-4-oxobutanamide?
4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 426.88 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 108750045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).