4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine

C17H24F3N5O — CID 174629250

IUPAC4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCOC(C)CNc1c[nH]c2ncc(C(F)(F)F)c(N3CCC[C@@H](N)C3)c12
InChIInChI=1S/C17H24F3N5O/c1-10(26-2)6-22-13-8-24-16-14(13)15(12(7-23-16)17(18,19)20)25-5-3-4-11(21)9-25/h7-8,10-11,22H,3-6,9,21H2,1-2H3,(H,23,24)/t10?,11-/m1/s1
InChIKeyVGHXJVGQCWDLEI-RRKGBCIJSA-N
MW371.41 g/mol
LogP2.96
Rot. Bonds5

About 4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine

4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine (PubChem CID 174629250) has the molecular formula C17H24F3N5O and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
PubChem CID174629250
Molecular FormulaC17H24F3N5O
Molecular Weight371.41 g/mol
Exact Mass371.19
IUPAC Name4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCOC(C)CNc1c[nH]c2ncc(C(F)(F)F)c(N3CCC[C@@H](N)C3)c12
InChIInChI=1S/C17H24F3N5O/c1-10(26-2)6-22-13-8-24-16-14(13)15(12(7-23-16)17(18,19)20)25-5-3-4-11(21)9-25/h7-8,10-11,22H,3-6,9,21H2,1-2H3,(H,23,24)/t10?,11-/m1/s1
InChIKeyVGHXJVGQCWDLEI-RRKGBCIJSA-N
XLogP2.96
TPSA79.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine (CID 174629250) is 4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine is COC(C)CNc1c[nH]c2ncc(C(F)(F)F)c(N3CCC[C@@H](N)C3)c12.
What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The InChIKey is VGHXJVGQCWDLEI-RRKGBCIJSA-N. The full InChI is InChI=1S/C17H24F3N5O/c1-10(26-2)6-22-13-8-24-16-14(13)15(12(7-23-16)17(18,19)20)25-5-3-4-11(21)9-25/h7-8,10-11,22H,3-6,9,21H2,1-2H3,(H,23,24)/t10?,11-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 371.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopiperidin-1-yl]-N-(2-methoxypropyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 174629250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).