(3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

C21H25N5O3 — CID 118479594

IUPAC(3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3ccc(OC(C)C)c(C)c3)CCO2)n2ncnc2n1
InChIInChI=1S/C21H25N5O3/c1-13(2)29-18-6-5-16(9-14(18)3)20(27)25-7-8-28-19(11-25)17-10-15(4)24-21-22-12-23-26(17)21/h5-6,9-10,12-13,19H,7-8,11H2,1-4H3/t19-/m0/s1
InChIKeyQWFNDTDFYSPLGD-IBGZPJMESA-N
MW395.46 g/mol
LogP2.74
Rot. Bonds4

About (3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

(3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118479594) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is (3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118479594
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name(3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3ccc(OC(C)C)c(C)c3)CCO2)n2ncnc2n1
InChIInChI=1S/C21H25N5O3/c1-13(2)29-18-6-5-16(9-14(18)3)20(27)25-7-8-28-19(11-25)17-10-15(4)24-21-22-12-23-26(17)21/h5-6,9-10,12-13,19H,7-8,11H2,1-4H3/t19-/m0/s1
InChIKeyQWFNDTDFYSPLGD-IBGZPJMESA-N
XLogP2.74
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 118472637
(3-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 123546202
(3-bromo-5-chlorophenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 118479698
(4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 118471320
[3-bromo-5-(trifluoromethyl)phenyl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone;ethane
CID 144952129
(4-cyclopropyl-2,3-difluorophenyl)-[(2R)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 118479721
2-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine-4-carbonyl]naphthalene-1-carbaldehyde
CID 139462748
6-methoxy-2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine-4-carbonyl]naphthalene-1-carbaldehyde
CID 139462772
(3-iodo-4-propan-2-yloxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647255
(3,4-difluorophenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118472541
(1-methylpyrrol-3-yl)-[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 155441282
(6-fluoronaphthalen-2-yl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118470899

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118479594) is (3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc([C@@H]2CN(C(=O)c3ccc(OC(C)C)c(C)c3)CCO2)n2ncnc2n1.
What is the InChIKey of (3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is QWFNDTDFYSPLGD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N5O3/c1-13(2)29-18-6-5-16(9-14(18)3)20(27)25-7-8-28-19(11-25)17-10-15(4)24-21-22-12-23-26(17)21/h5-6,9-10,12-13,19H,7-8,11H2,1-4H3/t19-/m0/s1.
What are the key properties of (3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 395.46 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-propan-2-yloxyphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118479594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).