5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C15H12F3N7 — CID 168774078

IUPAC5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESC[C@@H](Nc1ncc2c(-c3ccn4ncnc4c3)c[nH]c2n1)C(F)(F)F
InChIInChI=1S/C15H12F3N7/c1-8(15(16,17)18)23-14-20-6-11-10(5-19-13(11)24-14)9-2-3-25-12(4-9)21-7-22-25/h2-8H,1H3,(H2,19,20,23,24)/t8-/m1/s1
InChIKeyQGKJASKMBQBMLM-MRVPVSSYSA-N
MW347.30 g/mol
LogP3.03
Rot. Bonds3

About 5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168774078) has the molecular formula C15H12F3N7 and a molecular weight of 347.30 g/mol. Its IUPAC name is 5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168774078
Molecular FormulaC15H12F3N7
Molecular Weight347.30 g/mol
Exact Mass347.11
IUPAC Name5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESC[C@@H](Nc1ncc2c(-c3ccn4ncnc4c3)c[nH]c2n1)C(F)(F)F
InChIInChI=1S/C15H12F3N7/c1-8(15(16,17)18)23-14-20-6-11-10(5-19-13(11)24-14)9-2-3-25-12(4-9)21-7-22-25/h2-8H,1H3,(H2,19,20,23,24)/t8-/m1/s1
InChIKeyQGKJASKMBQBMLM-MRVPVSSYSA-N
XLogP3.03
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168774078) is 5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is C[C@@H](Nc1ncc2c(-c3ccn4ncnc4c3)c[nH]c2n1)C(F)(F)F.
What is the InChIKey of 5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is QGKJASKMBQBMLM-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H12F3N7/c1-8(15(16,17)18)23-14-20-6-11-10(5-19-13(11)24-14)9-2-3-25-12(4-9)21-7-22-25/h2-8H,1H3,(H2,19,20,23,24)/t8-/m1/s1.
What are the key properties of 5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 347.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168774078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).