N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine

C49H42F6N10O2 — CID 160734913

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCC(N)c1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)ccn1.COc1ccc(CNC(C)c2cc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)ccn2)c(OC)c1
InChIInChI=1S/C29H26F3N5O2.C20H16F3N5/c1-18(34-16-22-9-10-23(38-2)15-26(22)39-3)24-13-20(11-12-33-24)19-7-8-21-17-35-37(25(21)14-19)28-6-4-5-27(36-28)29(30,31)32;1-12(24)16-9-14(7-8-25-16)13-5-6-15-11-26-28(17(15)10-13)19-4-2-3-18(27-19)20(21,22)23/h4-15,17-18,34H,16H2,1-3H3;2-12H,24H2,1H3
InChIKeyRUUZTMHFNKDMLT-UHFFFAOYSA-N
MW916.93 g/mol
LogP10.89
Rot. Bonds11

About N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine

N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine (PubChem CID 160734913) has the molecular formula C49H42F6N10O2 and a molecular weight of 916.93 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
PubChem CID160734913
Molecular FormulaC49H42F6N10O2
Molecular Weight916.93 g/mol
Exact Mass916.34
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCC(N)c1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)ccn1.COc1ccc(CNC(C)c2cc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)ccn2)c(OC)c1
InChIInChI=1S/C29H26F3N5O2.C20H16F3N5/c1-18(34-16-22-9-10-23(38-2)15-26(22)39-3)24-13-20(11-12-33-24)19-7-8-21-17-35-37(25(21)14-19)28-6-4-5-27(36-28)29(30,31)32;1-12(24)16-9-14(7-8-25-16)13-5-6-15-11-26-28(17(15)10-13)19-4-2-3-18(27-19)20(21,22)23/h4-15,17-18,34H,16H2,1-3H3;2-12H,24H2,1H3
InChIKeyRUUZTMHFNKDMLT-UHFFFAOYSA-N
XLogP10.89
TPSA143.71 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500916.93
LogP ≤ 510.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine with MolForge

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Related Compounds

6-(2-Fluoro-6-methoxyphenyl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 162644299
US9725449, Example 187
CID 122686341
N4-(2,4-Dimethoxybenzyl)-2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5-diamine
CID 66614166
N4-(2,4-Dimethoxybenzyl)-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5-diamine
CID 66635320
1-(4-methoxybenzyl)-6-methyl-N-(tetrahydro-2H-pyran-4-yl)-3-(4-(trifluoromethyl)pyridin-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 67477365
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]pyridin-4-amine
CID 68778974
1,2-Bis[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(3-piperidin-4-ylphenyl)hydrazine
CID 87577177
1-(4-methoxybenzyl)-3-(4-(2,2,6,6-tetrafluoromorpholino)pyridin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 89811256
N-(4,4-difluorocyclohexyl)-1-(4-methoxybenzyl)-3-(pyridin-2-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 89811517
3-(4-((3R,4R)-3,4-difluoropyrrolidin-1-yl)pyridin-2-yl)-N-iso-propyl-1-(4-methoxybenzyl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 89811750
N-[(2,4-dimethoxyphenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidin-4-amine
CID 90180612
N-[(2,4-dimethoxyphenyl)methyl]-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methylpyrimidin-4-amine
CID 90180616

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine (CID 160734913) is N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine is CC(N)c1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)ccn1.COc1ccc(CNC(C)c2cc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)ccn2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
The InChIKey is RUUZTMHFNKDMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N5O2.C20H16F3N5/c1-18(34-16-22-9-10-23(38-2)15-26(22)39-3)24-13-20(11-12-33-24)19-7-8-21-17-35-37(25(21)14-19)28-6-4-5-27(36-28)29(30,31)32;1-12(24)16-9-14(7-8-25-16)13-5-6-15-11-26-28(17(15)10-13)19-4-2-3-18(27-19)20(21,22)23/h4-15,17-18,34H,16H2,1-3H3;2-12H,24H2,1H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine?
N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine has a molecular weight of 916.93 g/mol, XLogP of 10.89, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine;1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 160734913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).