6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline

C19H18N8 — CID 22032423

IUPAC6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
SMILESc1cnc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)nc1
InChIInChI=1S/C19H18N8/c1-4-20-19(21-5-1)27-8-6-26(7-9-27)18-16-10-14(15-11-24-25-12-15)2-3-17(16)22-13-23-18/h1-5,10-13H,6-9H2,(H,24,25)
InChIKeyKSPPGVLRQGIIBQ-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.14
Rot. Bonds3

About 6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline

6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline (PubChem CID 22032423) has the molecular formula C19H18N8 and a molecular weight of 358.41 g/mol. Its IUPAC name is 6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
PubChem CID22032423
Molecular FormulaC19H18N8
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline
SMILESc1cnc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)nc1
InChIInChI=1S/C19H18N8/c1-4-20-19(21-5-1)27-8-6-26(7-9-27)18-16-10-14(15-11-24-25-12-15)2-3-17(16)22-13-23-18/h1-5,10-13H,6-9H2,(H,24,25)
InChIKeyKSPPGVLRQGIIBQ-UHFFFAOYSA-N
XLogP2.14
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-phenylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 22031719
methane;4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinazoline
CID 161469747
4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031982
4-[4-(3-fluorophenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;methane
CID 159342726
3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]benzamide
CID 173113564
6-(1H-pyrazol-4-yl)-4-(4-pyridin-4-ylpiperazin-1-yl)quinazoline;tris(2,2,2-trifluoroacetic acid)
CID 22031467
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031947
4-[4-(2-methylsulfonylphenyl)-1,4-diazepan-1-yl]-6-(1H-pyrazol-4-yl)quinazoline;hydrochloride
CID 22032454
4-[4-(3-propan-2-ylsulfonylphenyl)piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
CID 22031492
N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide
CID 22032058
N-benzyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]methanesulfonamide
CID 22031106
tris(2,2,2-trifluoroacetic acid);N,2,2-trimethyl-N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]propanamide
CID 22031934

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline?
The IUPAC name of 6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline (CID 22032423) is 6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline?
The canonical SMILES for 6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline is c1cnc(N2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)nc1.
What is the InChIKey of 6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline?
The InChIKey is KSPPGVLRQGIIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8/c1-4-20-19(21-5-1)27-8-6-26(7-9-27)18-16-10-14(15-11-24-25-12-15)2-3-17(16)22-13-23-18/h1-5,10-13H,6-9H2,(H,24,25).
What are the key properties of 6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline?
6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline has a molecular weight of 358.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 22032423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).