(2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone

C20H21N7O — CID 164690357

IUPAC(2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C20H21N7O/c1-13-18-24-17(14-7-8-14)25-27(18)10-9-26(13)19(28)15-11-21-20(22-12-15)23-16-5-3-2-4-6-16/h2-6,11-14H,7-10H2,1H3,(H,21,22,23)/t13-/m1/s1
InChIKeyIPFGSGVBFGXTNP-CYBMUJFWSA-N
MW375.44 g/mol
LogP2.91
Rot. Bonds4

About (2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone

(2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 164690357) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is (2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
PubChem CID164690357
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name(2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C20H21N7O/c1-13-18-24-17(14-7-8-14)25-27(18)10-9-26(13)19(28)15-11-21-20(22-12-15)23-16-5-3-2-4-6-16/h2-6,11-14H,7-10H2,1H3,(H,21,22,23)/t13-/m1/s1
InChIKeyIPFGSGVBFGXTNP-CYBMUJFWSA-N
XLogP2.91
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-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

[2-(methylamino)pyrimidin-5-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164690816
(2-anilinopyrimidin-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 109264131
(2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 97156878
[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 164695473
[2-(aminomethyl)-1,3-oxazol-4-yl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164688290
[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
CID 164699117
(1R,5S)-3-(2-anilinopyrimidine-5-carbonyl)-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133133291
[2-(2-aminoethoxy)-5-fluorophenyl]-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 165424540
5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile
CID 164698579
(10S,13R)-4-(2-anilinopyrimidine-5-carbonyl)-9,10,16-trimethyl-13-(2-methylpropyl)-1,4,9,12,15,17-hexazabicyclo[12.3.0]heptadeca-14,16-diene-8,11-dione
CID 166617570
(2-anilinopyrimidin-5-yl)-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 72850472
4-(2-anilinopyrimidine-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70778714

Frequently Asked Questions

What is the IUPAC name of (2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of (2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 164690357) is (2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is C[C@@H]1c2nc(C3CC3)nn2CCN1C(=O)c1cnc(Nc2ccccc2)nc1.
What is the InChIKey of (2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is IPFGSGVBFGXTNP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-18-24-17(14-7-8-14)25-27(18)10-9-26(13)19(28)15-11-21-20(22-12-15)23-16-5-3-2-4-6-16/h2-6,11-14H,7-10H2,1H3,(H,21,22,23)/t13-/m1/s1.
What are the key properties of (2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
(2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 375.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilinopyrimidin-5-yl)-[(8R)-2-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164690357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).