[4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone

C25H24FN5O2 — CID 1441742

IUPAC[4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)CC1
InChIInChI=1S/C25H24FN5O2/c26-18-6-3-5-17(15-18)21-16-23-27-20-8-2-1-7-19(20)24(31(23)28-21)29-10-12-30(13-11-29)25(32)22-9-4-14-33-22/h3-6,9,14-16H,1-2,7-8,10-13H2
InChIKeyCFLFRWDNDMTOJV-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.97
Rot. Bonds3

About [4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 1441742) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is [4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID1441742
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name[4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)CC1
InChIInChI=1S/C25H24FN5O2/c26-18-6-3-5-17(15-18)21-16-23-27-20-8-2-1-7-19(20)24(31(23)28-21)29-10-12-30(13-11-29)25(32)22-9-4-14-33-22/h3-6,9,14-16H,1-2,7-8,10-13H2
InChIKeyCFLFRWDNDMTOJV-UHFFFAOYSA-N
XLogP3.97
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 1441742) is [4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)CC1.
What is the InChIKey of [4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is CFLFRWDNDMTOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c26-18-6-3-5-17(15-18)21-16-23-27-20-8-2-1-7-19(20)24(31(23)28-21)29-10-12-30(13-11-29)25(32)22-9-4-14-33-22/h3-6,9,14-16H,1-2,7-8,10-13H2.
What are the key properties of [4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 445.50 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 1441742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).