N-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C19H22ClFN4O — CID 121443446

IUPACN-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC1Cc2[nH]nc(C3CCCC3)c2CN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H22ClFN4O/c1-11-8-17-14(18(24-23-17)12-4-2-3-5-12)10-25(11)19(26)22-13-6-7-16(21)15(20)9-13/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,22,26)(H,23,24)
InChIKeyDCEXKKBOGMZFQI-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.84
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121443446) has the molecular formula C19H22ClFN4O and a molecular weight of 376.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121443446
Molecular FormulaC19H22ClFN4O
Molecular Weight376.86 g/mol
Exact Mass376.15
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC1Cc2[nH]nc(C3CCCC3)c2CN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H22ClFN4O/c1-11-8-17-14(18(24-23-17)12-4-2-3-5-12)10-25(11)19(26)22-13-6-7-16(21)15(20)9-13/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,22,26)(H,23,24)
InChIKeyDCEXKKBOGMZFQI-UHFFFAOYSA-N
XLogP4.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121443446) is N-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CC1Cc2[nH]nc(C3CCCC3)c2CN1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is DCEXKKBOGMZFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O/c1-11-8-17-14(18(24-23-17)12-4-2-3-5-12)10-25(11)19(26)22-13-6-7-16(21)15(20)9-13/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 376.86 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-cyclopentyl-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121443446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).