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

C19H25N7O — CID 72891602

IUPAC[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCc1cnn(CC2CCN(C(=O)c3cc(C(C)C)n4ncnc4n3)CC2)c1
InChIInChI=1S/C19H25N7O/c1-13(2)17-8-16(23-19-20-12-22-26(17)19)18(27)24-6-4-15(5-7-24)11-25-10-14(3)9-21-25/h8-10,12-13,15H,4-7,11H2,1-3H3
InChIKeyOIHGTAWNMVXZSN-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.31
Rot. Bonds4

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

[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 72891602) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is [4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID72891602
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCc1cnn(CC2CCN(C(=O)c3cc(C(C)C)n4ncnc4n3)CC2)c1
InChIInChI=1S/C19H25N7O/c1-13(2)17-8-16(23-19-20-12-22-26(17)19)18(27)24-6-4-15(5-7-24)11-25-10-14(3)9-21-25/h8-10,12-13,15H,4-7,11H2,1-3H3
InChIKeyOIHGTAWNMVXZSN-UHFFFAOYSA-N
XLogP2.31
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of [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) is [4-[(4-methylpyrazol-1-yl)methyl]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-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for [4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone is Cc1cnn(CC2CCN(C(=O)c3cc(C(C)C)n4ncnc4n3)CC2)c1.
What is the InChIKey of [4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is OIHGTAWNMVXZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-13(2)17-8-16(23-19-20-12-22-26(17)19)18(27)24-6-4-15(5-7-24)11-25-10-14(3)9-21-25/h8-10,12-13,15H,4-7,11H2,1-3H3.
What are the key properties of [4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 367.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 72891602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).