6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide

C52H46F6N12O3 — CID 157302581

IUPAC6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESCNC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.CNC(=O)c1cc(-c2cccc(C(C)NCc3ccc(OC)cc3)n2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C30H27F3N6O2.C22H19F3N6O/c1-18(35-16-19-10-12-21(41-3)13-11-19)24-6-4-7-25(37-24)20-14-22(29(40)34-2)23-17-36-39(26(23)15-20)28-9-5-8-27(38-28)30(31,32)33;1-12(26)16-5-3-6-17(29-16)13-9-14(21(32)27-2)15-11-28-31(18(15)10-13)20-8-4-7-19(30-20)22(23,24)25/h4-15,17-18,35H,16H2,1-3H3,(H,34,40);3-12H,26H2,1-2H3,(H,27,32)
InChIKeyBCBPINVQCKGHTN-UHFFFAOYSA-N
MW1001.01 g/mol
LogP9.60
Rot. Bonds12

About 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide

6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide (PubChem CID 157302581) has the molecular formula C52H46F6N12O3 and a molecular weight of 1001.01 g/mol. Its IUPAC name is 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide.

Molecular Properties

Compound Name6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
PubChem CID157302581
Molecular FormulaC52H46F6N12O3
Molecular Weight1001.01 g/mol
Exact Mass1000.37
IUPAC Name6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide
SMILESCNC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.CNC(=O)c1cc(-c2cccc(C(C)NCc3ccc(OC)cc3)n2)cc2c1cnn2-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C30H27F3N6O2.C22H19F3N6O/c1-18(35-16-19-10-12-21(41-3)13-11-19)24-6-4-7-25(37-24)20-14-22(29(40)34-2)23-17-36-39(26(23)15-20)28-9-5-8-27(38-28)30(31,32)33;1-12(26)16-5-3-6-17(29-16)13-9-14(21(32)27-2)15-11-28-31(18(15)10-13)20-8-4-7-19(30-20)22(23,24)25/h4-15,17-18,35H,16H2,1-3H3,(H,34,40);3-12H,26H2,1-2H3,(H,27,32)
InChIKeyBCBPINVQCKGHTN-UHFFFAOYSA-N
XLogP9.60
TPSA192.68 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001001.01
LogP ≤ 59.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide with MolForge

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Related Compounds

N-[2-methyl-5-(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)oxyphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 146556592
N-[2-methyl-5-(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)oxyphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 146555615
(1R,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-N-[3-methyl-6-(trifluoromethoxy)pyridin-2-yl]-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide
CID 153306534
4-(difluoromethoxy)-N-[6-(4,5,6,7-tetrahydropyrazolo[1,5-c]pyrimidin-3-yl)isoquinolin-3-yl]benzamide
CID 162674203
US20240025884, Example 395
CID 170673134
1-(sec-butyl)-N-((1-ethyl-3-methoxy-5-methyl-1H-pyrazol-4-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide
CID 90467336
US12473304, Example 226
CID 156829431
1-(sec-butyl)-N-((3-methoxy-1,5-dimethyl-1H-pyrazol-4-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide
CID 90467195
3-[[6-(6-methoxypyridin-3-yl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16747222
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-1-ethyl-4-[(4-oxocyclohexyl)amino]pyrazolo[3,4-b]pyridine-5-carboxamide;1-ethyl-4-[(4-oxocyclohexyl)amino]-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87790553
N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-4-pyridinyl)amino]isoquinoline-6-carboxamide
CID 89987318
7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91509718

Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The IUPAC name of 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide (CID 157302581) is 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide.
What is the SMILES notation for 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The canonical SMILES for 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide is CNC(=O)c1cc(-c2cccc(C(C)N)n2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.CNC(=O)c1cc(-c2cccc(C(C)NCc3ccc(OC)cc3)n2)cc2c1cnn2-c1cccc(C(F)(F)F)n1.
What is the InChIKey of 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
The InChIKey is BCBPINVQCKGHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N6O2.C22H19F3N6O/c1-18(35-16-19-10-12-21(41-3)13-11-19)24-6-4-7-25(37-24)20-14-22(29(40)34-2)23-17-36-39(26(23)15-20)28-9-5-8-27(38-28)30(31,32)33;1-12(26)16-5-3-6-17(29-16)13-9-14(21(32)27-2)15-11-28-31(18(15)10-13)20-8-4-7-19(30-20)22(23,24)25/h4-15,17-18,35H,16H2,1-3H3,(H,34,40);3-12H,26H2,1-2H3,(H,27,32).
What are the key properties of 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide?
6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide has a molecular weight of 1001.01 g/mol, XLogP of 9.60, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-aminoethyl)-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide;6-[6-[1-[(4-methoxyphenyl)methylamino]ethyl]-2-pyridinyl]-N-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carboxamide is sourced from PubChem (CID 157302581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).