1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea

C21H13ClF3N5O — CID 11487583

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C21H13ClF3N5O/c22-15-7-6-13(10-14(15)21(23,24)25)27-20(31)30-18-9-8-16-19(29-18)28-17(11-26-16)12-4-2-1-3-5-12/h1-11H,(H2,27,28,29,30,31)
InChIKeyNNMVZBZBSISKNQ-UHFFFAOYSA-N
MW443.82 g/mol
LogP6.01
Rot. Bonds3

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea (PubChem CID 11487583) has the molecular formula C21H13ClF3N5O and a molecular weight of 443.82 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
PubChem CID11487583
Molecular FormulaC21H13ClF3N5O
Molecular Weight443.82 g/mol
Exact Mass443.08
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C21H13ClF3N5O/c22-15-7-6-13(10-14(15)21(23,24)25)27-20(31)30-18-9-8-16-19(29-18)28-17(11-26-16)12-4-2-1-3-5-12/h1-11H,(H2,27,28,29,30,31)
InChIKeyNNMVZBZBSISKNQ-UHFFFAOYSA-N
XLogP6.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.82
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

SD-208
CID 10316032
EGFR/ErbB-2/ErbB-4 inhibitor
CID 11566580
6-Arylpyrido[2,3-d]pyrimidine deriv. 64
CID 5328166
N-[4-(3-Chloro-4-fluoro-phenylamino)-pyrido[3,4-d]pyrimidin-6-yl]-acrylamide
CID 10759828
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-piperidin-1-ylisoquinolin-1-amine
CID 24788725
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)urea
CID 46919120
N-[4-[(3-chloro-4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
CID 44564526
1-[4-[(6-Aminoquinazolin-4-yl)amino]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 71764221
2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine
CID 3232645
1-(3-Chlorophenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11525669
1-(2-Chloro-5-(trifluoromethyl)phenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11541116
1-[4-(4-amino-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-6-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 15941393

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea (CID 11487583) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc2ncc(-c3ccccc3)nc2n1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The InChIKey is NNMVZBZBSISKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N5O/c22-15-7-6-13(10-14(15)21(23,24)25)27-20(31)30-18-9-8-16-19(29-18)28-17(11-26-16)12-4-2-1-3-5-12/h1-11H,(H2,27,28,29,30,31).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea has a molecular weight of 443.82 g/mol, XLogP of 6.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea is sourced from PubChem (CID 11487583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).