N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine

C14H18F3N3 — CID 66410846

IUPACN-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCC(F)(F)F)c2ncccc12
InChIInChI=1S/C14H18F3N3/c1-10(2)19-8-11-9-20(7-5-14(15,16)17)13-12(11)4-3-6-18-13/h3-4,6,9-10,19H,5,7-8H2,1-2H3
InChIKeyUVXYOEOMTZBCLS-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.49
Rot. Bonds5

About N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine

N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine (PubChem CID 66410846) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
PubChem CID66410846
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC NameN-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCC(F)(F)F)c2ncccc12
InChIInChI=1S/C14H18F3N3/c1-10(2)19-8-11-9-20(7-5-14(15,16)17)13-12(11)4-3-6-18-13/h3-4,6,9-10,19H,5,7-8H2,1-2H3
InChIKeyUVXYOEOMTZBCLS-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
CID 66412207
N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66411037
N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
CID 66411630
N-[[1-[(5-chlorothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
CID 66412020
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66413562
2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 115518332
2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol
CID 66411195
N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66411029
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 116617067
4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol
CID 66413359
2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-propan-2-ylacetamide
CID 53144495
5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
CID 66413411

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine (CID 66410846) is N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCC(F)(F)F)c2ncccc12.
What is the InChIKey of N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine?
The InChIKey is UVXYOEOMTZBCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3/c1-10(2)19-8-11-9-20(7-5-14(15,16)17)13-12(11)4-3-6-18-13/h3-4,6,9-10,19H,5,7-8H2,1-2H3.
What are the key properties of N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine?
N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine has a molecular weight of 285.31 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66410846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).