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

C18H23N7O2 — CID 118472647

IUPAC(1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3cc(C(C)C)nn3C)CCO2)n2ncnc2n1
InChIInChI=1S/C18H23N7O2/c1-11(2)13-8-15(23(4)22-13)17(26)24-5-6-27-16(9-24)14-7-12(3)21-18-19-10-20-25(14)18/h7-8,10-11,16H,5-6,9H2,1-4H3/t16-/m0/s1
InChIKeyWZKSGXMCIZCRRC-INIZCTEOSA-N
MW369.43 g/mol
LogP1.50
Rot. Bonds3

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

(1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118472647) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is (1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118472647
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name(1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3cc(C(C)C)nn3C)CCO2)n2ncnc2n1
InChIInChI=1S/C18H23N7O2/c1-11(2)13-8-15(23(4)22-13)17(26)24-5-6-27-16(9-24)14-7-12(3)21-18-19-10-20-25(14)18/h7-8,10-11,16H,5-6,9H2,1-4H3/t16-/m0/s1
InChIKeyWZKSGXMCIZCRRC-INIZCTEOSA-N
XLogP1.50
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118472647) is (1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1-methyl-3-propan-2-ylpyrazol-5-yl)-[(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)c3cc(C(C)C)nn3C)CCO2)n2ncnc2n1.
What is the InChIKey of (1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is WZKSGXMCIZCRRC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-11(2)13-8-15(23(4)22-13)17(26)24-5-6-27-16(9-24)14-7-12(3)21-18-19-10-20-25(14)18/h7-8,10-11,16H,5-6,9H2,1-4H3/t16-/m0/s1.
What are the key properties of (1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118472647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).