N-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine

C49H42F6N10O2 — CID 161131921

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine
SMILESCC(N)c1cncc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.COc1ccc(CNC(C)c2cncc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)c2)c(OC)c1
InChIInChI=1S/C29H26F3N5O2.C20H16F3N5/c1-18(34-16-21-9-10-24(38-2)13-26(21)39-3)22-11-23(15-33-14-22)19-7-8-20-17-35-37(25(20)12-19)28-6-4-5-27(36-28)29(30,31)32;1-12(24)15-7-16(10-25-9-15)13-5-6-14-11-26-28(17(14)8-13)19-4-2-3-18(27-19)20(21,22)23/h4-15,17-18,34H,16H2,1-3H3;2-12H,24H2,1H3
InChIKeyUMHMSTMZOGGBMA-UHFFFAOYSA-N
MW916.93 g/mol
LogP10.89
Rot. Bonds11

About N-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine

N-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine (PubChem CID 161131921) has the molecular formula C49H42F6N10O2 and a molecular weight of 916.93 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine
PubChem CID161131921
Molecular FormulaC49H42F6N10O2
Molecular Weight916.93 g/mol
Exact Mass916.34
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine
SMILESCC(N)c1cncc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.COc1ccc(CNC(C)c2cncc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)c2)c(OC)c1
InChIInChI=1S/C29H26F3N5O2.C20H16F3N5/c1-18(34-16-21-9-10-24(38-2)13-26(21)39-3)22-11-23(15-33-14-22)19-7-8-20-17-35-37(25(20)12-19)28-6-4-5-27(36-28)29(30,31)32;1-12(24)15-7-16(10-25-9-15)13-5-6-14-11-26-28(17(14)8-13)19-4-2-3-18(27-19)20(21,22)23/h4-15,17-18,34H,16H2,1-3H3;2-12H,24H2,1H3
InChIKeyUMHMSTMZOGGBMA-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-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine with MolForge

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Related Compounds

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US9725449, Example 187
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N4-(2,4-Dimethoxybenzyl)-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5-diamine
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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
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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
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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine (CID 161131921) is N-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine is CC(N)c1cncc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.COc1ccc(CNC(C)c2cncc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine?
The InChIKey is UMHMSTMZOGGBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N5O2.C20H16F3N5/c1-18(34-16-21-9-10-24(38-2)13-26(21)39-3)22-11-23(15-33-14-22)19-7-8-20-17-35-37(25(20)12-19)28-6-4-5-27(36-28)29(30,31)32;1-12(24)15-7-16(10-25-9-15)13-5-6-14-11-26-28(17(14)8-13)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-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine?
N-[(2,4-dimethoxyphenyl)methyl]-1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-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-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine;1-[5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]ethanamine is sourced from PubChem (CID 161131921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).