1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

C24H23F3N6O — CID 146624838

IUPAC1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2ncnc3cc(-c4nc(N)ccc4C(F)(F)F)c(C4CC4)cc23)CC1
InChIInChI=1S/C24H23F3N6O/c1-2-21(34)32-7-9-33(10-8-32)23-17-11-15(14-3-4-14)16(12-19(17)29-13-30-23)22-18(24(25,26)27)5-6-20(28)31-22/h2,5-6,11-14H,1,3-4,7-10H2,(H2,28,31)
InChIKeyTYXMALXQCYHSFF-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.00
Rot. Bonds4

About 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 146624838) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
PubChem CID146624838
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2ncnc3cc(-c4nc(N)ccc4C(F)(F)F)c(C4CC4)cc23)CC1
InChIInChI=1S/C24H23F3N6O/c1-2-21(34)32-7-9-33(10-8-32)23-17-11-15(14-3-4-14)16(12-19(17)29-13-30-23)22-18(24(25,26)27)5-6-20(28)31-22/h2,5-6,11-14H,1,3-4,7-10H2,(H2,28,31)
InChIKeyTYXMALXQCYHSFF-UHFFFAOYSA-N
XLogP4.00
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one 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 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (CID 146624838) is 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2ncnc3cc(-c4nc(N)ccc4C(F)(F)F)c(C4CC4)cc23)CC1.
What is the InChIKey of 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
The InChIKey is TYXMALXQCYHSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-2-21(34)32-7-9-33(10-8-32)23-17-11-15(14-3-4-14)16(12-19(17)29-13-30-23)22-18(24(25,26)27)5-6-20(28)31-22/h2,5-6,11-14H,1,3-4,7-10H2,(H2,28,31).
What are the key properties of 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 468.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-cyclopropylquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 146624838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).