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

C17H21N7O — CID 16670086

IUPAC(1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCC(C)n1cc(C(=O)N2CCC(c3ccnc4ncnn34)CC2)cn1
InChIInChI=1S/C17H21N7O/c1-12(2)23-10-14(9-20-23)16(25)22-7-4-13(5-8-22)15-3-6-18-17-19-11-21-24(15)17/h3,6,9-13H,4-5,7-8H2,1-2H3
InChIKeyDACZZAXXFNLNAX-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.92
Rot. Bonds3

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

(1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 16670086) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is (1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID16670086
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name(1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCC(C)n1cc(C(=O)N2CCC(c3ccnc4ncnn34)CC2)cn1
InChIInChI=1S/C17H21N7O/c1-12(2)23-10-14(9-20-23)16(25)22-7-4-13(5-8-22)15-3-6-18-17-19-11-21-24(15)17/h3,6,9-13H,4-5,7-8H2,1-2H3
InChIKeyDACZZAXXFNLNAX-UHFFFAOYSA-N
XLogP1.92
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 46958948
[4-(3-hydroxyphenyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70774589
7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1485500
[3-methyl-5-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-phenylmethanone
CID 118472472
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70743628
[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 92581626
tert-butyl (3R)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 142415547
tert-butyl (3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 142415489
furan-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 110225724
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70752368
thiophen-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 110214031
5-methyl-1-(1-propan-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122117281

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 16670086) is (1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is CC(C)n1cc(C(=O)N2CCC(c3ccnc4ncnn34)CC2)cn1.
What is the InChIKey of (1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is DACZZAXXFNLNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12(2)23-10-14(9-20-23)16(25)22-7-4-13(5-8-22)15-3-6-18-17-19-11-21-24(15)17/h3,6,9-13H,4-5,7-8H2,1-2H3.
What are the key properties of (1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrazol-4-yl)-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 16670086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).