(2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide

C21H19N5O3 — CID 118241088

IUPAC(2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CCC[C@H]5C(N)=O)n4c3)ccc2o1
InChIInChI=1S/C21H19N5O3/c1-12-24-15-9-13(4-6-18(15)29-12)14-5-7-19-23-10-17(26(19)11-14)21(28)25-8-2-3-16(25)20(22)27/h4-7,9-11,16H,2-3,8H2,1H3,(H2,22,27)/t16-/m0/s1
InChIKeyXPHAHLJNMPAJGL-INIZCTEOSA-N
MW389.42 g/mol
LogP2.54
Rot. Bonds3

About (2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide

(2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 118241088) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is (2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide
PubChem CID118241088
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name(2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)N5CCC[C@H]5C(N)=O)n4c3)ccc2o1
InChIInChI=1S/C21H19N5O3/c1-12-24-15-9-13(4-6-18(15)29-12)14-5-7-19-23-10-17(26(19)11-14)21(28)25-8-2-3-16(25)20(22)27/h4-7,9-11,16H,2-3,8H2,1H3,(H2,22,27)/t16-/m0/s1
InChIKeyXPHAHLJNMPAJGL-INIZCTEOSA-N
XLogP2.54
TPSA106.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118241077
6-(2-methyl-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118241085
6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 118241111
1-[[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 123291688
[3-(3,3-difluoropyrrolidin-1-yl)pyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
CID 118241131
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 70798817
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 145052109
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
CID 70798654
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone
CID 89212502
6-(2-amino-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 70798569
6-(2-amino-1,3-benzoxazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 70798553
[4-(cyclopropylmethyl)piperazin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;N-(4-hydroxycyclohexyl)-6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide;[4-(2-hydroxyethyl)piperazin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;N-[1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl]acetamide;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;6-(2-methyl-1,3-benzoxazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 162139711

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide (CID 118241088) is (2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide is Cc1nc2cc(-c3ccc4ncc(C(=O)N5CCC[C@H]5C(N)=O)n4c3)ccc2o1.
What is the InChIKey of (2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is XPHAHLJNMPAJGL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-12-24-15-9-13(4-6-18(15)29-12)14-5-7-19-23-10-17(26(19)11-14)21(28)25-8-2-3-16(25)20(22)27/h4-7,9-11,16H,2-3,8H2,1H3,(H2,22,27)/t16-/m0/s1.
What are the key properties of (2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
(2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridine-3-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118241088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).