3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol

C19H15N7O — CID 66789531

IUPAC3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol
SMILESCc1nc(-c2c(Nc3cccc(O)c3)nc3ccccn23)c2[nH]cnc2n1
InChIInChI=1S/C19H15N7O/c1-11-22-15(16-18(23-11)21-10-20-16)17-19(24-12-5-4-6-13(27)9-12)25-14-7-2-3-8-26(14)17/h2-10,24,27H,1H3,(H,20,21,22,23)
InChIKeyXJPGXOQWKGDWNV-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.43
Rot. Bonds3

About 3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol

3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol (PubChem CID 66789531) has the molecular formula C19H15N7O and a molecular weight of 357.38 g/mol. Its IUPAC name is 3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol
PubChem CID66789531
Molecular FormulaC19H15N7O
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC Name3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol
SMILESCc1nc(-c2c(Nc3cccc(O)c3)nc3ccccn23)c2[nH]cnc2n1
InChIInChI=1S/C19H15N7O/c1-11-22-15(16-18(23-11)21-10-20-16)17-19(24-12-5-4-6-13(27)9-12)25-14-7-2-3-8-26(14)17/h2-10,24,27H,1H3,(H,20,21,22,23)
InChIKeyXJPGXOQWKGDWNV-UHFFFAOYSA-N
XLogP3.43
TPSA104.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol?
The IUPAC name of 3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol (CID 66789531) is 3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol?
The canonical SMILES for 3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol is Cc1nc(-c2c(Nc3cccc(O)c3)nc3ccccn23)c2[nH]cnc2n1.
What is the InChIKey of 3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol?
The InChIKey is XJPGXOQWKGDWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O/c1-11-22-15(16-18(23-11)21-10-20-16)17-19(24-12-5-4-6-13(27)9-12)25-14-7-2-3-8-26(14)17/h2-10,24,27H,1H3,(H,20,21,22,23).
What are the key properties of 3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol?
3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol has a molecular weight of 357.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methyl-7H-purin-6-yl)imidazo[1,2-a]pyridin-2-yl]amino]phenol is sourced from PubChem (CID 66789531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).