5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

C18H27N5S — CID 56902534

IUPAC5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(N2CCN(C3CCSCC3)CC2)n2nccc2n1
InChIInChI=1S/C18H27N5S/c1-14(2)16-13-18(23-17(20-16)3-6-19-23)22-9-7-21(8-10-22)15-4-11-24-12-5-15/h3,6,13-15H,4-5,7-12H2,1-2H3
InChIKeyDNNPKMCWJBCJGR-UHFFFAOYSA-N
MW345.52 g/mol
LogP2.87
Rot. Bonds3

About 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 56902534) has the molecular formula C18H27N5S and a molecular weight of 345.52 g/mol. Its IUPAC name is 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID56902534
Molecular FormulaC18H27N5S
Molecular Weight345.52 g/mol
Exact Mass345.20
IUPAC Name5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(N2CCN(C3CCSCC3)CC2)n2nccc2n1
InChIInChI=1S/C18H27N5S/c1-14(2)16-13-18(23-17(20-16)3-6-19-23)22-9-7-21(8-10-22)15-4-11-24-12-5-15/h3,6,13-15H,4-5,7-12H2,1-2H3
InChIKeyDNNPKMCWJBCJGR-UHFFFAOYSA-N
XLogP2.87
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]morpholine
CID 56899471
cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone
CID 56885348
2-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]benzonitrile
CID 56899819
(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 95863277
[(3S)-1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95723617
(1S,2S,9R)-11-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 56914864
2-methyl-5-propan-2-yl-7-(4-pyridin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 56897752
5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 66584856
2-(4-cyclobutylpiperazin-1-yl)-4-propan-2-ylpyrimidine
CID 170175295
(3R,4S)-4-[4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]oxolan-3-ol
CID 70745702
2-[4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole
CID 56909140
N-[[(3S)-oxan-3-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95718973

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 56902534) is 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is CC(C)c1cc(N2CCN(C3CCSCC3)CC2)n2nccc2n1.
What is the InChIKey of 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is DNNPKMCWJBCJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5S/c1-14(2)16-13-18(23-17(20-16)3-6-19-23)22-9-7-21(8-10-22)15-4-11-24-12-5-15/h3,6,13-15H,4-5,7-12H2,1-2H3.
What are the key properties of 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 345.52 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-7-[4-(thian-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56902534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).