4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine

C28H30F3N7O — CID 121396216

IUPAC4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
SMILESFC(F)(F)c1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCC5)c12
InChIInChI=1S/C28H30F3N7O/c29-28(30,31)19-7-5-9-21-25(19)26(33-17-32-21)37-11-4-3-10-23(37)22-16-24-34-20-8-2-1-6-18(20)27(38(24)35-22)36-12-14-39-15-13-36/h5,7,9,16-17,23H,1-4,6,8,10-15H2
InChIKeyQYRRUZDHTDQPAA-UHFFFAOYSA-N
MW537.59 g/mol
LogP5.14
Rot. Bonds3

About 4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine

4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine (PubChem CID 121396216) has the molecular formula C28H30F3N7O and a molecular weight of 537.59 g/mol. Its IUPAC name is 4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
PubChem CID121396216
Molecular FormulaC28H30F3N7O
Molecular Weight537.59 g/mol
Exact Mass537.25
IUPAC Name4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
SMILESFC(F)(F)c1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCC5)c12
InChIInChI=1S/C28H30F3N7O/c29-28(30,31)19-7-5-9-21-25(19)26(33-17-32-21)37-11-4-3-10-23(37)22-16-24-34-20-8-2-1-6-18(20)27(38(24)35-22)36-12-14-39-15-13-36/h5,7,9,16-17,23H,1-4,6,8,10-15H2
InChIKeyQYRRUZDHTDQPAA-UHFFFAOYSA-N
XLogP5.14
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.59
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine 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-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
The IUPAC name of 4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine (CID 121396216) is 4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine.
What is the SMILES notation for 4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
The canonical SMILES for 4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine is FC(F)(F)c1cccc2ncnc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCC5)c12.
What is the InChIKey of 4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
The InChIKey is QYRRUZDHTDQPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N7O/c29-28(30,31)19-7-5-9-21-25(19)26(33-17-32-21)37-11-4-3-10-23(37)22-16-24-34-20-8-2-1-6-18(20)27(38(24)35-22)36-12-14-39-15-13-36/h5,7,9,16-17,23H,1-4,6,8,10-15H2.
What are the key properties of 4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine has a molecular weight of 537.59 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[5-(trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine is sourced from PubChem (CID 121396216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).