(Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine

C21H24F3N9O — CID 139359152

IUPAC(Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C)CN(c2cc(OC)nc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1C
InChIInChI=1S/C21H24F3N9O/c1-11-9-32(12(2)19(29-11)13(5-25)6-26)16-4-18(34-3)31-20(30-16)14-7-28-17-8-27-15(10-33(14)17)21(22,23)24/h4-8,10-12,19,25,29H,9,26H2,1-3H3/b13-6+,25-5+
InChIKeyHUYPCTJWWRXUCY-ORQZXXSGSA-N
MW475.48 g/mol
LogP2.26
Rot. Bonds5

About (Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine

(Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine (PubChem CID 139359152) has the molecular formula C21H24F3N9O and a molecular weight of 475.48 g/mol. Its IUPAC name is (Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine
PubChem CID139359152
Molecular FormulaC21H24F3N9O
Molecular Weight475.48 g/mol
Exact Mass475.21
IUPAC Name(Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1NC(C)CN(c2cc(OC)nc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1C
InChIInChI=1S/C21H24F3N9O/c1-11-9-32(12(2)19(29-11)13(5-25)6-26)16-4-18(34-3)31-20(30-16)14-7-28-17-8-27-15(10-33(14)17)21(22,23)24/h4-8,10-12,19,25,29H,9,26H2,1-3H3/b13-6+,25-5+
InChIKeyHUYPCTJWWRXUCY-ORQZXXSGSA-N
XLogP2.26
TPSA130.34 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine 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 (Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine (CID 139359152) is (Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine is [H]/N=C/C(=C\N)C1NC(C)CN(c2cc(OC)nc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1C.
What is the InChIKey of (Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine?
The InChIKey is HUYPCTJWWRXUCY-ORQZXXSGSA-N. The full InChI is InChI=1S/C21H24F3N9O/c1-11-9-32(12(2)19(29-11)13(5-25)6-26)16-4-18(34-3)31-20(30-16)14-7-28-17-8-27-15(10-33(14)17)21(22,23)24/h4-8,10-12,19,25,29H,9,26H2,1-3H3/b13-6+,25-5+.
What are the key properties of (Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine?
(Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine has a molecular weight of 475.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-[4-[6-methoxy-2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3,6-dimethylpiperazin-2-yl]prop-1-en-1-amine is sourced from PubChem (CID 139359152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).