2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine

C31H35F4N7 — CID 157047448

IUPAC2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESC=C(NCc1ccc(-c2cc3c(NC4=C(F)CN(C)CC4)cccc3n2CC(F)(F)F)nc1)c1cnn(C(C)(C)C)c1
InChIInChI=1S/C31H35F4N7/c1-20(22-16-38-42(17-22)30(2,3)4)36-14-21-9-10-27(37-15-21)29-13-23-25(39-26-11-12-40(5)18-24(26)32)7-6-8-28(23)41(29)19-31(33,34)35/h6-10,13,15-17,36,39H,1,11-12,14,18-19H2,2-5H3
InChIKeyAASSJSLKSXBRIX-UHFFFAOYSA-N
MW581.66 g/mol
LogP6.91
Rot. Bonds8

About 2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine

2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine (PubChem CID 157047448) has the molecular formula C31H35F4N7 and a molecular weight of 581.66 g/mol. Its IUPAC name is 2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine.

Molecular Properties

Compound Name2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
PubChem CID157047448
Molecular FormulaC31H35F4N7
Molecular Weight581.66 g/mol
Exact Mass581.29
IUPAC Name2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESC=C(NCc1ccc(-c2cc3c(NC4=C(F)CN(C)CC4)cccc3n2CC(F)(F)F)nc1)c1cnn(C(C)(C)C)c1
InChIInChI=1S/C31H35F4N7/c1-20(22-16-38-42(17-22)30(2,3)4)36-14-21-9-10-27(37-15-21)29-13-23-25(39-26-11-12-40(5)18-24(26)32)7-6-8-28(23)41(29)19-31(33,34)35/h6-10,13,15-17,36,39H,1,11-12,14,18-19H2,2-5H3
InChIKeyAASSJSLKSXBRIX-UHFFFAOYSA-N
XLogP6.91
TPSA62.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.66
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The IUPAC name of 2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine (CID 157047448) is 2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine.
What is the SMILES notation for 2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The canonical SMILES for 2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine is C=C(NCc1ccc(-c2cc3c(NC4=C(F)CN(C)CC4)cccc3n2CC(F)(F)F)nc1)c1cnn(C(C)(C)C)c1.
What is the InChIKey of 2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The InChIKey is AASSJSLKSXBRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F4N7/c1-20(22-16-38-42(17-22)30(2,3)4)36-14-21-9-10-27(37-15-21)29-13-23-25(39-26-11-12-40(5)18-24(26)32)7-6-8-28(23)41(29)19-31(33,34)35/h6-10,13,15-17,36,39H,1,11-12,14,18-19H2,2-5H3.
What are the key properties of 2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine has a molecular weight of 581.66 g/mol, XLogP of 6.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[1-(1-tert-butylpyrazol-4-yl)ethenylamino]methyl]-2-pyridinyl]-N-(5-fluoro-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine is sourced from PubChem (CID 157047448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).