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

C21H23ClN4O3 — CID 135334960

IUPAC(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-methylpyrrolidine-2-carboxamide
SMILESCOc1cc(OC)c(-c2cn3ccc(NC(=O)[C@@H]4CCCN4C)cc3n2)cc1Cl
InChIInChI=1S/C21H23ClN4O3/c1-25-7-4-5-17(25)21(27)23-13-6-8-26-12-16(24-20(26)9-13)14-10-15(22)19(29-3)11-18(14)28-2/h6,8-12,17H,4-5,7H2,1-3H3,(H,23,27)/t17-/m0/s1
InChIKeyMANGYNJANWZUMH-KRWDZBQOSA-N
MW414.89 g/mol
LogP3.70
Rot. Bonds5

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

(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 135334960) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-methylpyrrolidine-2-carboxamide
PubChem CID135334960
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-methylpyrrolidine-2-carboxamide
SMILESCOc1cc(OC)c(-c2cn3ccc(NC(=O)[C@@H]4CCCN4C)cc3n2)cc1Cl
InChIInChI=1S/C21H23ClN4O3/c1-25-7-4-5-17(25)21(27)23-13-6-8-26-12-16(24-20(26)9-13)14-10-15(22)19(29-3)11-18(14)28-2/h6,8-12,17H,4-5,7H2,1-3H3,(H,23,27)/t17-/m0/s1
InChIKeyMANGYNJANWZUMH-KRWDZBQOSA-N
XLogP3.70
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.70
H-Bond Donors ≤ 51
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]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-methylpyrrolidine-2-carboxamide (CID 135334960) is (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-methylpyrrolidine-2-carboxamide is COc1cc(OC)c(-c2cn3ccc(NC(=O)[C@@H]4CCCN4C)cc3n2)cc1Cl.
What is the InChIKey of (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is MANGYNJANWZUMH-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-25-7-4-5-17(25)21(27)23-13-6-8-26-12-16(24-20(26)9-13)14-10-15(22)19(29-3)11-18(14)28-2/h6,8-12,17H,4-5,7H2,1-3H3,(H,23,27)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-methylpyrrolidine-2-carboxamide?
(2S)-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 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]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 135334960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).