[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone

C19H23N7O — CID 118787753

IUPAC[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCc1cncnc1C1CCN(C(=O)c2cc(C(C)C)n3ncnc3n2)CC1
InChIInChI=1S/C19H23N7O/c1-12(2)16-8-15(24-19-22-11-23-26(16)19)18(27)25-6-4-14(5-7-25)17-13(3)9-20-10-21-17/h8-12,14H,4-7H2,1-3H3
InChIKeyDQSBINFVMHWBAC-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.37
Rot. Bonds3

About [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone

[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 118787753) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID118787753
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCc1cncnc1C1CCN(C(=O)c2cc(C(C)C)n3ncnc3n2)CC1
InChIInChI=1S/C19H23N7O/c1-12(2)16-8-15(24-19-22-11-23-26(16)19)18(27)25-6-4-14(5-7-25)17-13(3)9-20-10-21-17/h8-12,14H,4-7H2,1-3H3
InChIKeyDQSBINFVMHWBAC-UHFFFAOYSA-N
XLogP2.37
TPSA89.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 72891602
(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72859386
1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 72844137
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824390
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 97285251
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 118789382
8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50948165
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 99949308
[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 97123200
N-[2-(4-methylpiperidin-1-yl)propyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 46970474
N-[(1S,2R)-2-aminocyclobutyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 56906980
[(3aR,6S,7aS)-6-hydroxy-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 118767320

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone (CID 118787753) is [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone is Cc1cncnc1C1CCN(C(=O)c2cc(C(C)C)n3ncnc3n2)CC1.
What is the InChIKey of [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is DQSBINFVMHWBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-12(2)16-8-15(24-19-22-11-23-26(16)19)18(27)25-6-4-14(5-7-25)17-13(3)9-20-10-21-17/h8-12,14H,4-7H2,1-3H3.
What are the key properties of [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 118787753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).