(6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C23H23N5O3 — CID 92614339

IUPAC(6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCCc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(OC)cc2)c2c(C)noc2n1
InChIInChI=1S/C23H23N5O3/c1-4-15-11-17(19-13(2)27-31-22(19)26-15)23(29)28-10-9-18-20(25-12-24-18)21(28)14-5-7-16(30-3)8-6-14/h5-8,11-12,21H,4,9-10H2,1-3H3,(H,24,25)/t21-/m0/s1
InChIKeyGMPIRHWUWTVCBS-NRFANRHFSA-N
MW417.47 g/mol
LogP3.61
Rot. Bonds4

About (6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 92614339) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is (6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID92614339
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name(6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCCc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(OC)cc2)c2c(C)noc2n1
InChIInChI=1S/C23H23N5O3/c1-4-15-11-17(19-13(2)27-31-22(19)26-15)23(29)28-10-9-18-20(25-12-24-18)21(28)14-5-7-16(30-3)8-6-14/h5-8,11-12,21H,4,9-10H2,1-3H3,(H,24,25)/t21-/m0/s1
InChIKeyGMPIRHWUWTVCBS-NRFANRHFSA-N
XLogP3.61
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 92614339) is (6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is CCc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2c2ccc(OC)cc2)c2c(C)noc2n1.
What is the InChIKey of (6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is GMPIRHWUWTVCBS-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-4-15-11-17(19-13(2)27-31-22(19)26-15)23(29)28-10-9-18-20(25-12-24-18)21(28)14-5-7-16(30-3)8-6-14/h5-8,11-12,21H,4,9-10H2,1-3H3,(H,24,25)/t21-/m0/s1.
What are the key properties of (6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 417.47 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 92614339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).