4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol

C19H21N3O2 — CID 1154229

IUPAC4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1cccn2c(NC[C@H]3CCCO3)c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C19H21N3O2/c1-13-4-2-10-22-18(13)21-17(14-6-8-15(23)9-7-14)19(22)20-12-16-5-3-11-24-16/h2,4,6-10,16,20,23H,3,5,11-12H2,1H3/t16-/m1/s1
InChIKeyYZULDGPNFSHBQZ-MRXNPFEDSA-N
MW323.40 g/mol
LogP3.61
Rot. Bonds4

About 4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol

4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 1154229) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID1154229
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1cccn2c(NC[C@H]3CCCO3)c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C19H21N3O2/c1-13-4-2-10-22-18(13)21-17(14-6-8-15(23)9-7-14)19(22)20-12-16-5-3-11-24-16/h2,4,6-10,16,20,23H,3,5,11-12H2,1H3/t16-/m1/s1
InChIKeyYZULDGPNFSHBQZ-MRXNPFEDSA-N
XLogP3.61
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol (CID 1154229) is 4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol is Cc1cccn2c(NC[C@H]3CCCO3)c(-c3ccc(O)cc3)nc12.
What is the InChIKey of 4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is YZULDGPNFSHBQZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-4-2-10-22-18(13)21-17(14-6-8-15(23)9-7-14)19(22)20-12-16-5-3-11-24-16/h2,4,6-10,16,20,23H,3,5,11-12H2,1H3/t16-/m1/s1.
What are the key properties of 4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol?
4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 323.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-methyl-3-[[(2R)-oxolan-2-yl]methylamino]imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 1154229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).