7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine

C25H23ClF3N7 — CID 163288445

IUPAC7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine
SMILESCN(C)CCn1ncc2cc(Nc3ncc(C(F)(F)F)c(-c4cn(C)c5ccccc45)n3)cc(Cl)c21
InChIInChI=1S/C25H23ClF3N7/c1-34(2)8-9-36-23-15(12-31-36)10-16(11-20(23)26)32-24-30-13-19(25(27,28)29)22(33-24)18-14-35(3)21-7-5-4-6-17(18)21/h4-7,10-14H,8-9H2,1-3H3,(H,30,32,33)
InChIKeyZWYALXLLBPXFFL-UHFFFAOYSA-N
MW513.96 g/mol
LogP5.96
Rot. Bonds6

About 7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine

7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine (PubChem CID 163288445) has the molecular formula C25H23ClF3N7 and a molecular weight of 513.96 g/mol. Its IUPAC name is 7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine.

Molecular Properties

Compound Name7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine
PubChem CID163288445
Molecular FormulaC25H23ClF3N7
Molecular Weight513.96 g/mol
Exact Mass513.17
IUPAC Name7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine
SMILESCN(C)CCn1ncc2cc(Nc3ncc(C(F)(F)F)c(-c4cn(C)c5ccccc45)n3)cc(Cl)c21
InChIInChI=1S/C25H23ClF3N7/c1-34(2)8-9-36-23-15(12-31-36)10-16(11-20(23)26)32-24-30-13-19(25(27,28)29)22(33-24)18-14-35(3)21-7-5-4-6-17(18)21/h4-7,10-14H,8-9H2,1-3H3,(H,30,32,33)
InChIKeyZWYALXLLBPXFFL-UHFFFAOYSA-N
XLogP5.96
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.96
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,2,4-triamine
CID 166477521
N-[1-[2-(dimethylamino)ethyl]-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]indazol-7-yl]acetamide
CID 163288434
N-[1-[2-(dimethylamino)ethyl]-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]indazol-7-yl]-3-methylbut-2-enamide
CID 163288421
1-[2-(dimethylamino)ethyl]-N-[4-(7-fluoro-1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-2-methylbenzimidazol-5-amine
CID 166477442
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(5-fluoro-1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 166477621
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(5-methoxy-1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 166477726
1-N-[2-(dimethylamino)ethyl]-4-N-[4-(7-fluoro-1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-1-N-methylbenzene-1,2,4-triamine
CID 166477458
N-[2-[2-(dimethylamino)ethyl-ethylamino]-5-[[4-(7-fluoro-1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 166478055
1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-nitropyrimidin-2-yl]indol-5-amine
CID 163288424
tert-butyl N-acetyl-N-[5-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]carbamate
CID 166477897
N-[3-[[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[4-(dimethylamino)butanoylamino]benzamide
CID 154953444
N-[5-[[4,5-dimethoxy-6-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-3-fluorophenyl]acetamide
CID 166477472

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine?
The IUPAC name of 7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine (CID 163288445) is 7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine.
What is the SMILES notation for 7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine?
The canonical SMILES for 7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine is CN(C)CCn1ncc2cc(Nc3ncc(C(F)(F)F)c(-c4cn(C)c5ccccc45)n3)cc(Cl)c21.
What is the InChIKey of 7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine?
The InChIKey is ZWYALXLLBPXFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N7/c1-34(2)8-9-36-23-15(12-31-36)10-16(11-20(23)26)32-24-30-13-19(25(27,28)29)22(33-24)18-14-35(3)21-7-5-4-6-17(18)21/h4-7,10-14H,8-9H2,1-3H3,(H,30,32,33).
What are the key properties of 7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine?
7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine has a molecular weight of 513.96 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[2-(dimethylamino)ethyl]-N-[4-(1-methylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]indazol-5-amine is sourced from PubChem (CID 163288445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).