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

C21H21ClFN5O — CID 141465799

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(-c2n[nH]c3c2CN(C(=O)NC(C)c2ccc(Cl)c(F)c2)CC3)ccn1
InChIInChI=1S/C21H21ClFN5O/c1-12-9-15(5-7-24-12)20-16-11-28(8-6-19(16)26-27-20)21(29)25-13(2)14-3-4-17(22)18(23)10-14/h3-5,7,9-10,13H,6,8,11H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyYNIAAWMHQCVKKK-UHFFFAOYSA-N
MW413.88 g/mol
LogP4.40
Rot. Bonds3

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

N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 141465799) has the molecular formula C21H21ClFN5O and a molecular weight of 413.88 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID141465799
Molecular FormulaC21H21ClFN5O
Molecular Weight413.88 g/mol
Exact Mass413.14
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(-c2n[nH]c3c2CN(C(=O)NC(C)c2ccc(Cl)c(F)c2)CC3)ccn1
InChIInChI=1S/C21H21ClFN5O/c1-12-9-15(5-7-24-12)20-16-11-28(8-6-19(16)26-27-20)21(29)25-13(2)14-3-4-17(22)18(23)10-14/h3-5,7,9-10,13H,6,8,11H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyYNIAAWMHQCVKKK-UHFFFAOYSA-N
XLogP4.40
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 141465799) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cc(-c2n[nH]c3c2CN(C(=O)NC(C)c2ccc(Cl)c(F)c2)CC3)ccn1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is YNIAAWMHQCVKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN5O/c1-12-9-15(5-7-24-12)20-16-11-28(8-6-19(16)26-27-20)21(29)25-13(2)14-3-4-17(22)18(23)10-14/h3-5,7,9-10,13H,6,8,11H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 413.88 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 141465799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).