4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline

C21H21N5S — CID 133280074

IUPAC4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline
SMILESCn1nccc1C1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C21H21N5S/c1-25-18(8-11-22-25)15-9-12-26(13-10-15)21-16-5-2-3-6-17(16)23-20(24-21)19-7-4-14-27-19/h2-8,11,14-15H,9-10,12-13H2,1H3
InChIKeyIHZLWCGRXUTVEY-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.48
Rot. Bonds3

About 4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline

4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline (PubChem CID 133280074) has the molecular formula C21H21N5S and a molecular weight of 375.50 g/mol. Its IUPAC name is 4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline
PubChem CID133280074
Molecular FormulaC21H21N5S
Molecular Weight375.50 g/mol
Exact Mass375.15
IUPAC Name4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline
SMILESCn1nccc1C1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C21H21N5S/c1-25-18(8-11-22-25)15-9-12-26(13-10-15)21-16-5-2-3-6-17(16)23-20(24-21)19-7-4-14-27-19/h2-8,11,14-15H,9-10,12-13H2,1H3
InChIKeyIHZLWCGRXUTVEY-UHFFFAOYSA-N
XLogP4.48
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Sgx-523
CID 24779724
4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2475524
4-[4-[(3-Methyl-2-thienyl)-(o-tolyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011487
4-[4-[(3-Methyl-2-thienyl)-(2-pyridyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011489
4-(4-Methylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 2520263
2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2474854
(2-Imidazol-1-yl-quinazolin-4-yl)-thiophen-2-ylmethyl-amine
CID 9995367
5-(Piperidin-3-yl)-3-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224365
1-(2-Fluorobenzyl)-4-(2-thienyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015493
Alk-5-IN-1
CID 24880914
3-(6-Quinolylmethyl)-6-(2-thienyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405873

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline (CID 133280074) is 4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline is Cn1nccc1C1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1.
What is the InChIKey of 4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline?
The InChIKey is IHZLWCGRXUTVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5S/c1-25-18(8-11-22-25)15-9-12-26(13-10-15)21-16-5-2-3-6-17(16)23-20(24-21)19-7-4-14-27-19/h2-8,11,14-15H,9-10,12-13H2,1H3.
What are the key properties of 4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline?
4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline has a molecular weight of 375.50 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 133280074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).