N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C18H16ClFN4OS — CID 121442813

IUPACN-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C18H16ClFN4OS/c1-10-8-14-11(17(23-22-14)15-6-3-7-26-15)9-24(10)18(25)21-13-5-2-4-12(19)16(13)20/h2-7,10H,8-9H2,1H3,(H,21,25)(H,22,23)
InChIKeyBIMWFJLEIZOHPM-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.91
Rot. Bonds2

About N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121442813) has the molecular formula C18H16ClFN4OS and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121442813
Molecular FormulaC18H16ClFN4OS
Molecular Weight390.87 g/mol
Exact Mass390.07
IUPAC NameN-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C18H16ClFN4OS/c1-10-8-14-11(17(23-22-14)15-6-3-7-26-15)9-24(10)18(25)21-13-5-2-4-12(19)16(13)20/h2-7,10H,8-9H2,1H3,(H,21,25)(H,22,23)
InChIKeyBIMWFJLEIZOHPM-UHFFFAOYSA-N
XLogP4.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121442813) is N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CC1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is BIMWFJLEIZOHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4OS/c1-10-8-14-11(17(23-22-14)15-6-3-7-26-15)9-24(10)18(25)21-13-5-2-4-12(19)16(13)20/h2-7,10H,8-9H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121442813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).