5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine

C24H19ClF3N7 — CID 137431341

IUPAC5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C24H19ClF3N7/c25-18-11-15(10-16-12-31-34-19(16)18)21-20(14-4-2-1-3-5-14)32-22(29)23(33-21)30-7-9-35-8-6-17(13-35)24(26,27)28/h1-6,8,10-13H,7,9H2,(H2,29,32)(H,30,33)(H,31,34)
InChIKeyJOYUGMFOYHYPIB-UHFFFAOYSA-N
MW497.91 g/mol
LogP5.85
Rot. Bonds6

About 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine

5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine (PubChem CID 137431341) has the molecular formula C24H19ClF3N7 and a molecular weight of 497.91 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
PubChem CID137431341
Molecular FormulaC24H19ClF3N7
Molecular Weight497.91 g/mol
Exact Mass497.13
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCn1ccc(C(F)(F)F)c1
InChIInChI=1S/C24H19ClF3N7/c25-18-11-15(10-16-12-31-34-19(16)18)21-20(14-4-2-1-3-5-14)32-22(29)23(33-21)30-7-9-35-8-6-17(13-35)24(26,27)28/h1-6,8,10-13H,7,9H2,(H2,29,32)(H,30,33)(H,31,34)
InChIKeyJOYUGMFOYHYPIB-UHFFFAOYSA-N
XLogP5.85
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.91
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine 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 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine (CID 137431341) is 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCn1ccc(C(F)(F)F)c1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine?
The InChIKey is JOYUGMFOYHYPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N7/c25-18-11-15(10-16-12-31-34-19(16)18)21-20(14-4-2-1-3-5-14)32-22(29)23(33-21)30-7-9-35-8-6-17(13-35)24(26,27)28/h1-6,8,10-13H,7,9H2,(H2,29,32)(H,30,33)(H,31,34).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine?
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine has a molecular weight of 497.91 g/mol, XLogP of 5.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine is sourced from PubChem (CID 137431341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).