2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

C24H24ClN7 — CID 1441832

IUPAC2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESClc1cccc(-c2cc3nc4c(c(N5CCN(c6cnccn6)CC5)n3n2)CCCC4)c1
InChIInChI=1S/C24H24ClN7/c25-18-5-3-4-17(14-18)21-15-22-28-20-7-2-1-6-19(20)24(32(22)29-21)31-12-10-30(11-13-31)23-16-26-8-9-27-23/h3-5,8-9,14-16H,1-2,6-7,10-13H2
InChIKeyOGFCBIAVPJCCDX-UHFFFAOYSA-N
MW445.96 g/mol
LogP4.05
Rot. Bonds3

About 2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (PubChem CID 1441832) has the molecular formula C24H24ClN7 and a molecular weight of 445.96 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
PubChem CID1441832
Molecular FormulaC24H24ClN7
Molecular Weight445.96 g/mol
Exact Mass445.18
IUPAC Name2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESClc1cccc(-c2cc3nc4c(c(N5CCN(c6cnccn6)CC5)n3n2)CCCC4)c1
InChIInChI=1S/C24H24ClN7/c25-18-5-3-4-17(14-18)21-15-22-28-20-7-2-1-6-19(20)24(32(22)29-21)31-12-10-30(11-13-31)23-16-26-8-9-27-23/h3-5,8-9,14-16H,1-2,6-7,10-13H2
InChIKeyOGFCBIAVPJCCDX-UHFFFAOYSA-N
XLogP4.05
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.96
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The IUPAC name of 2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (CID 1441832) is 2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.
What is the SMILES notation for 2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The canonical SMILES for 2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is Clc1cccc(-c2cc3nc4c(c(N5CCN(c6cnccn6)CC5)n3n2)CCCC4)c1.
What is the InChIKey of 2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The InChIKey is OGFCBIAVPJCCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7/c25-18-5-3-4-17(14-18)21-15-22-28-20-7-2-1-6-19(20)24(32(22)29-21)31-12-10-30(11-13-31)23-16-26-8-9-27-23/h3-5,8-9,14-16H,1-2,6-7,10-13H2.
What are the key properties of 2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline has a molecular weight of 445.96 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-9-(4-pyrazin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is sourced from PubChem (CID 1441832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).