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

C20H20FN5O2 — CID 118479739

IUPAC(3-cyclopropyl-4-fluorophenyl)-[(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(F)c(C4CC4)c3)CCO2)n2ncnc2n1
InChIInChI=1S/C20H20FN5O2/c1-12-8-17(26-20(24-12)22-11-23-26)18-10-25(6-7-28-18)19(27)14-4-5-16(21)15(9-14)13-2-3-13/h4-5,8-9,11,13,18H,2-3,6-7,10H2,1H3/t18-/m0/s1
InChIKeyCNXTWPAVKUJPBW-SFHVURJKSA-N
MW381.41 g/mol
LogP2.66
Rot. Bonds3

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

(3-cyclopropyl-4-fluorophenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118479739) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is (3-cyclopropyl-4-fluorophenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-4-fluorophenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118479739
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name(3-cyclopropyl-4-fluorophenyl)-[(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(F)c(C4CC4)c3)CCO2)n2ncnc2n1
InChIInChI=1S/C20H20FN5O2/c1-12-8-17(26-20(24-12)22-11-23-26)18-10-25(6-7-28-18)19(27)14-4-5-16(21)15(9-14)13-2-3-13/h4-5,8-9,11,13,18H,2-3,6-7,10H2,1H3/t18-/m0/s1
InChIKeyCNXTWPAVKUJPBW-SFHVURJKSA-N
XLogP2.66
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-4-fluorophenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-cyclopropyl-4-fluorophenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118479739) is (3-cyclopropyl-4-fluorophenyl)-[(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-cyclopropyl-4-fluorophenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-cyclopropyl-4-fluorophenyl)-[(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(F)c(C4CC4)c3)CCO2)n2ncnc2n1.
What is the InChIKey of (3-cyclopropyl-4-fluorophenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is CNXTWPAVKUJPBW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-12-8-17(26-20(24-12)22-11-23-26)18-10-25(6-7-28-18)19(27)14-4-5-16(21)15(9-14)13-2-3-13/h4-5,8-9,11,13,18H,2-3,6-7,10H2,1H3/t18-/m0/s1.
What are the key properties of (3-cyclopropyl-4-fluorophenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(3-cyclopropyl-4-fluorophenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 381.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-4-fluorophenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118479739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).