5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide

C21H23ClN4O — CID 100755497

IUPAC5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1ccc([C@H](CNC(=O)c2cc3cc(Cl)ccn3n2)N2CCCC2)cc1
InChIInChI=1S/C21H23ClN4O/c1-15-4-6-16(7-5-15)20(25-9-2-3-10-25)14-23-21(27)19-13-18-12-17(22)8-11-26(18)24-19/h4-8,11-13,20H,2-3,9-10,14H2,1H3,(H,23,27)/t20-/m0/s1
InChIKeyITNXWPUIAHYRLX-FQEVSTJZSA-N
MW382.90 g/mol
LogP3.86
Rot. Bonds5

About 5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide

5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 100755497) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID100755497
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1ccc([C@H](CNC(=O)c2cc3cc(Cl)ccn3n2)N2CCCC2)cc1
InChIInChI=1S/C21H23ClN4O/c1-15-4-6-16(7-5-15)20(25-9-2-3-10-25)14-23-21(27)19-13-18-12-17(22)8-11-26(18)24-19/h4-8,11-13,20H,2-3,9-10,14H2,1H3,(H,23,27)/t20-/m0/s1
InChIKeyITNXWPUIAHYRLX-FQEVSTJZSA-N
XLogP3.86
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 43843501
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
5-(3,4-dimethylphenyl)-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39867354
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 39867171
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776
5-chloro-3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 35343024
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 166262730
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43842823
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrol-1-ylbenzamide
CID 110302906

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide (CID 100755497) is 5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide is Cc1ccc([C@H](CNC(=O)c2cc3cc(Cl)ccn3n2)N2CCCC2)cc1.
What is the InChIKey of 5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is ITNXWPUIAHYRLX-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-15-4-6-16(7-5-15)20(25-9-2-3-10-25)14-23-21(27)19-13-18-12-17(22)8-11-26(18)24-19/h4-8,11-13,20H,2-3,9-10,14H2,1H3,(H,23,27)/t20-/m0/s1.
What are the key properties of 5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 382.90 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 100755497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).