2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

C22H25FN4 — CID 3230127

IUPAC2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESCC1CCCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)C1
InChIInChI=1S/C22H25FN4/c1-15-6-5-11-26(14-15)22-18-9-2-3-10-19(18)24-21-13-20(25-27(21)22)16-7-4-8-17(23)12-16/h4,7-8,12-13,15H,2-3,5-6,9-11,14H2,1H3
InChIKeyCOVDMNDCPAJSKI-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.65
Rot. Bonds2

About 2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (PubChem CID 3230127) has the molecular formula C22H25FN4 and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
PubChem CID3230127
Molecular FormulaC22H25FN4
Molecular Weight364.47 g/mol
Exact Mass364.21
IUPAC Name2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESCC1CCCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)C1
InChIInChI=1S/C22H25FN4/c1-15-6-5-11-26(14-15)22-18-9-2-3-10-19(18)24-21-13-20(25-27(21)22)16-7-4-8-17(23)12-16/h4,7-8,12-13,15H,2-3,5-6,9-11,14H2,1H3
InChIKeyCOVDMNDCPAJSKI-UHFFFAOYSA-N
XLogP4.65
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The IUPAC name of 2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (CID 3230127) is 2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.
What is the SMILES notation for 2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The canonical SMILES for 2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is CC1CCCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)C1.
What is the InChIKey of 2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The InChIKey is COVDMNDCPAJSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4/c1-15-6-5-11-26(14-15)22-18-9-2-3-10-19(18)24-21-13-20(25-27(21)22)16-7-4-8-17(23)12-16/h4,7-8,12-13,15H,2-3,5-6,9-11,14H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline has a molecular weight of 364.47 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-9-(3-methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is sourced from PubChem (CID 3230127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).