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

C20H22FN5 — CID 1441765

IUPAC2-(3-fluorophenyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESFc1cccc(-c2cc3nc4c(c(N5CCNCC5)n3n2)CCCC4)c1
InChIInChI=1S/C20H22FN5/c21-15-5-3-4-14(12-15)18-13-19-23-17-7-2-1-6-16(17)20(26(19)24-18)25-10-8-22-9-11-25/h3-5,12-13,22H,1-2,6-11H2
InChIKeyAFYBBCQVYAHRRH-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.82
Rot. Bonds2

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

2-(3-fluorophenyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (PubChem CID 1441765) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name2-(3-fluorophenyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
PubChem CID1441765
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name2-(3-fluorophenyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESFc1cccc(-c2cc3nc4c(c(N5CCNCC5)n3n2)CCCC4)c1
InChIInChI=1S/C20H22FN5/c21-15-5-3-4-14(12-15)18-13-19-23-17-7-2-1-6-16(17)20(26(19)24-18)25-10-8-22-9-11-25/h3-5,12-13,22H,1-2,6-11H2
InChIKeyAFYBBCQVYAHRRH-UHFFFAOYSA-N
XLogP2.82
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The IUPAC name of 2-(3-fluorophenyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (CID 1441765) is 2-(3-fluorophenyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.
What is the SMILES notation for 2-(3-fluorophenyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The canonical SMILES for 2-(3-fluorophenyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is Fc1cccc(-c2cc3nc4c(c(N5CCNCC5)n3n2)CCCC4)c1.
What is the InChIKey of 2-(3-fluorophenyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The InChIKey is AFYBBCQVYAHRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c21-15-5-3-4-14(12-15)18-13-19-23-17-7-2-1-6-16(17)20(26(19)24-18)25-10-8-22-9-11-25/h3-5,12-13,22H,1-2,6-11H2.
What are the key properties of 2-(3-fluorophenyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
2-(3-fluorophenyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline has a molecular weight of 351.43 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-9-piperazin-1-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is sourced from PubChem (CID 1441765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).