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

C22H23N5S — CID 133280022

IUPAC4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline
SMILESCCn1cc(C2CCN(c3nc(-c4ccsc4)nc4ccccc34)CC2)cn1
InChIInChI=1S/C22H23N5S/c1-2-27-14-18(13-23-27)16-7-10-26(11-8-16)22-19-5-3-4-6-20(19)24-21(25-22)17-9-12-28-15-17/h3-6,9,12-16H,2,7-8,10-11H2,1H3
InChIKeyLWPQZEPDQSTKNK-UHFFFAOYSA-N
MW389.53 g/mol
LogP4.96
Rot. Bonds4

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

4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline (PubChem CID 133280022) has the molecular formula C22H23N5S and a molecular weight of 389.53 g/mol. Its IUPAC name is 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline.

Molecular Properties

Compound Name4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline
PubChem CID133280022
Molecular FormulaC22H23N5S
Molecular Weight389.53 g/mol
Exact Mass389.17
IUPAC Name4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline
SMILESCCn1cc(C2CCN(c3nc(-c4ccsc4)nc4ccccc34)CC2)cn1
InChIInChI=1S/C22H23N5S/c1-2-27-14-18(13-23-27)16-7-10-26(11-8-16)22-19-5-3-4-6-20(19)24-21(25-22)17-9-12-28-15-17/h3-6,9,12-16H,2,7-8,10-11H2,1H3
InChIKeyLWPQZEPDQSTKNK-UHFFFAOYSA-N
XLogP4.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone
CID 24508180
2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline
CID 86773032
4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133458583
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133335933
1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea
CID 60570235
2-thiophen-3-yl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]quinazoline
CID 55377922
2-[1-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476729
2-thiophen-3-yl-4-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline
CID 75370030
2-thiophen-2-yl-4-(2-thiophen-3-ylquinazolin-4-yl)morpholine
CID 133363520
4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
CID 10177767
N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide
CID 49431387
4-(4-ethylpiperazin-1-yl)-2-(4-methylphenyl)quinazoline;hydrochloride
CID 2790962

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline?
The IUPAC name of 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline (CID 133280022) is 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline.
What is the SMILES notation for 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline?
The canonical SMILES for 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline is CCn1cc(C2CCN(c3nc(-c4ccsc4)nc4ccccc34)CC2)cn1.
What is the InChIKey of 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline?
The InChIKey is LWPQZEPDQSTKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5S/c1-2-27-14-18(13-23-27)16-7-10-26(11-8-16)22-19-5-3-4-6-20(19)24-21(25-22)17-9-12-28-15-17/h3-6,9,12-16H,2,7-8,10-11H2,1H3.
What are the key properties of 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline?
4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline has a molecular weight of 389.53 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-2-thiophen-3-ylquinazoline is sourced from PubChem (CID 133280022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).