4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C27H22N4 — CID 58170121

IUPAC4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESC1=C(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CCCC1
InChIInChI=1S/C27H22N4/c1-2-6-19(7-3-1)20-10-12-21(13-11-20)22-16-29-27-25(17-30-31(27)18-22)23-14-15-28-26-9-5-4-8-24(23)26/h4-6,8-18H,1-3,7H2
InChIKeyYJUQGDUZRAXKFB-UHFFFAOYSA-N
MW402.50 g/mol
LogP6.57
Rot. Bonds3

About 4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 58170121) has the molecular formula C27H22N4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

Compound Name4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PubChem CID58170121
Molecular FormulaC27H22N4
Molecular Weight402.50 g/mol
Exact Mass402.18
IUPAC Name4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
SMILESC1=C(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CCCC1
InChIInChI=1S/C27H22N4/c1-2-6-19(7-3-1)20-10-12-21(13-11-20)22-16-29-27-25(17-30-31(27)18-22)23-14-15-28-26-9-5-4-8-24(23)26/h4-6,8-18H,1-3,7H2
InChIKeyYJUQGDUZRAXKFB-UHFFFAOYSA-N
XLogP6.57
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The IUPAC name of 4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 58170121) is 4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.
What is the SMILES notation for 4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The canonical SMILES for 4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is C1=C(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CCCC1.
What is the InChIKey of 4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
The InChIKey is YJUQGDUZRAXKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4/c1-2-6-19(7-3-1)20-10-12-21(13-11-20)22-16-29-27-25(17-30-31(27)18-22)23-14-15-28-26-9-5-4-8-24(23)26/h4-6,8-18H,1-3,7H2.
What are the key properties of 4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?
4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 402.50 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(cyclohexen-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 58170121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).