(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide

C20H21ClN4O3 — CID 135335497

IUPAC(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide
SMILESCOc1cc(OC)c(-c2cn3ccc(NC(=O)[C@@H]4CCCN4)cc3n2)cc1Cl
InChIInChI=1S/C20H21ClN4O3/c1-27-17-10-18(28-2)14(21)9-13(17)16-11-25-7-5-12(8-19(25)24-16)23-20(26)15-4-3-6-22-15/h5,7-11,15,22H,3-4,6H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyOJDKMFPONIUKCN-HNNXBMFYSA-N
MW400.87 g/mol
LogP3.36
Rot. Bonds5

About (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide

(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide (PubChem CID 135335497) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide
PubChem CID135335497
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide
SMILESCOc1cc(OC)c(-c2cn3ccc(NC(=O)[C@@H]4CCCN4)cc3n2)cc1Cl
InChIInChI=1S/C20H21ClN4O3/c1-27-17-10-18(28-2)14(21)9-13(17)16-11-25-7-5-12(8-19(25)24-16)23-20(26)15-4-3-6-22-15/h5,7-11,15,22H,3-4,6H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyOJDKMFPONIUKCN-HNNXBMFYSA-N
XLogP3.36
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide (CID 135335497) is (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide is COc1cc(OC)c(-c2cn3ccc(NC(=O)[C@@H]4CCCN4)cc3n2)cc1Cl.
What is the InChIKey of (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide?
The InChIKey is OJDKMFPONIUKCN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-27-17-10-18(28-2)14(21)9-13(17)16-11-25-7-5-12(8-19(25)24-16)23-20(26)15-4-3-6-22-15/h5,7-11,15,22H,3-4,6H2,1-2H3,(H,23,26)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide?
(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 135335497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).