4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid

C20H17N5O3 — CID 59176879

IUPAC4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid
SMILESCOc1cccn2c(-c3ccnc(Nc4ccc(C(=O)O)cc4)n3)c(C)nc12
InChIInChI=1S/C20H17N5O3/c1-12-17(25-11-3-4-16(28-2)18(25)22-12)15-9-10-21-20(24-15)23-14-7-5-13(6-8-14)19(26)27/h3-11H,1-2H3,(H,26,27)(H,21,23,24)
InChIKeySPUKAYQULDFRPB-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.55
Rot. Bonds5

About 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid

4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid (PubChem CID 59176879) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid
PubChem CID59176879
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid
SMILESCOc1cccn2c(-c3ccnc(Nc4ccc(C(=O)O)cc4)n3)c(C)nc12
InChIInChI=1S/C20H17N5O3/c1-12-17(25-11-3-4-16(28-2)18(25)22-12)15-9-10-21-20(24-15)23-14-7-5-13(6-8-14)19(26)27/h3-11H,1-2H3,(H,26,27)(H,21,23,24)
InChIKeySPUKAYQULDFRPB-UHFFFAOYSA-N
XLogP3.55
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid (CID 59176879) is 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid is COc1cccn2c(-c3ccnc(Nc4ccc(C(=O)O)cc4)n3)c(C)nc12.
What is the InChIKey of 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid?
The InChIKey is SPUKAYQULDFRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-12-17(25-11-3-4-16(28-2)18(25)22-12)15-9-10-21-20(24-15)23-14-7-5-13(6-8-14)19(26)27/h3-11H,1-2H3,(H,26,27)(H,21,23,24).
What are the key properties of 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid?
4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid has a molecular weight of 375.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoic acid is sourced from PubChem (CID 59176879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).