N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine

C17H16F3N3 — CID 141247005

IUPACN-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
SMILESCC(C)Nc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C17H16F3N3/c1-10(2)22-16-9-21-6-5-13(16)15-8-11-7-12(17(18,19)20)3-4-14(11)23-15/h3-10,22-23H,1-2H3
InChIKeyBINVBHWRQNIFPA-UHFFFAOYSA-N
MW319.33 g/mol
LogP5.07
Rot. Bonds3

About N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine

N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine (PubChem CID 141247005) has the molecular formula C17H16F3N3 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
PubChem CID141247005
Molecular FormulaC17H16F3N3
Molecular Weight319.33 g/mol
Exact Mass319.13
IUPAC NameN-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
SMILESCC(C)Nc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C17H16F3N3/c1-10(2)22-16-9-21-6-5-13(16)15-8-11-7-12(17(18,19)20)3-4-14(11)23-15/h3-10,22-23H,1-2H3
InChIKeyBINVBHWRQNIFPA-UHFFFAOYSA-N
XLogP5.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.33
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141246993
N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247114
2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247097
2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247087
2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247033
2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247036
5-tert-butyl-2-pyridin-4-yl-1H-indole
CID 131887138
1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine
CID 136985773
6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247106
5-(trifluoromethyl)-2-[3-(1,1,1-trifluoropropan-2-yloxy)-4-pyridinyl]-1,3-benzoxazole
CID 87188578
N-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-5-amine
CID 126608157
[5-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 117195095

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine?
The IUPAC name of N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine (CID 141247005) is N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine.
What is the SMILES notation for N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine?
The canonical SMILES for N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine is CC(C)Nc1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1.
What is the InChIKey of N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine?
The InChIKey is BINVBHWRQNIFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3/c1-10(2)22-16-9-21-6-5-13(16)15-8-11-7-12(17(18,19)20)3-4-14(11)23-15/h3-10,22-23H,1-2H3.
What are the key properties of N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine?
N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine has a molecular weight of 319.33 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine is sourced from PubChem (CID 141247005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).