5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C15H14F3N9 — CID 178001168

IUPAC5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCNc1nc(N)c2c(-c3ccc4nnn(CCC(F)F)c4n3)c(F)cn2n1
InChIInChI=1S/C15H14F3N9/c1-20-15-22-13(19)12-11(7(16)6-27(12)24-15)8-2-3-9-14(21-8)26(25-23-9)5-4-10(17)18/h2-3,6,10H,4-5H2,1H3,(H3,19,20,22,24)
InChIKeyYRVCREDESBKGBE-UHFFFAOYSA-N
MW377.33 g/mol
LogP1.95
Rot. Bonds5

About 5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 178001168) has the molecular formula C15H14F3N9 and a molecular weight of 377.33 g/mol. Its IUPAC name is 5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Name5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID178001168
Molecular FormulaC15H14F3N9
Molecular Weight377.33 g/mol
Exact Mass377.13
IUPAC Name5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCNc1nc(N)c2c(-c3ccc4nnn(CCC(F)F)c4n3)c(F)cn2n1
InChIInChI=1S/C15H14F3N9/c1-20-15-22-13(19)12-11(7(16)6-27(12)24-15)8-2-3-9-14(21-8)26(25-23-9)5-4-10(17)18/h2-3,6,10H,4-5H2,1H3,(H3,19,20,22,24)
InChIKeyYRVCREDESBKGBE-UHFFFAOYSA-N
XLogP1.95
TPSA111.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine with MolForge

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Related Compounds

2-N-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 178000685
5-[3-(2,2-difluoroethyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoropyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;1-methylcyclohexan-1-ol
CID 178000972
3,3-difluoro-1-methylpiperidine;5-(3-ethyltriazolo[4,5-b]pyridin-5-yl)-6-fluoro-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 178000773
6-fluoro-5-[3-(2-fluoroethyl)triazolo[4,5-b]pyridin-5-yl]-2-N-[(4R)-3-fluoro-1-methylsulfonyl-3-[(E)-prop-1-enyl]piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 178001048
5-[3-(2,2-difluoroethyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;1-[(3R)-3-fluoro-4-methylpiperidin-1-yl]ethanone
CID 178000743
5-[3-(2,2-difluoroethyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 178001223
5-[3-(2,2-difluoroethyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;1-(3,3-difluoropiperidin-1-yl)ethanone
CID 178001179
5-[3-(2,2-difluoroethyl)triazolo[4,5-b]pyridin-5-yl]-2-N-(2-fluoro-2-methylpropyl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171733663
5-(3-ethyltriazolo[4,5-b]pyridin-5-yl)-6-fluoro-4-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;1-(3-fluoro-3-methylpiperidin-1-yl)ethanone
CID 178001084
1-(3,3-difluoro-4-methylpiperidin-1-yl)ethanone;5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-2-N,4-N-dimethylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 178001088
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]-2-N-[1-(3-ethyloxetan-3-yl)-3-fluoropiperidin-4-yl]-6-fluoropyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171552171
1-[(3R,4S)-3-[[4-amino-5-[3-(2,2-difluoroethyl)triazolo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-4-fluoropyrrolidin-1-yl]ethanone
CID 171733648

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of 5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 178001168) is 5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for 5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for 5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is CNc1nc(N)c2c(-c3ccc4nnn(CCC(F)F)c4n3)c(F)cn2n1.
What is the InChIKey of 5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is YRVCREDESBKGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N9/c1-20-15-22-13(19)12-11(7(16)6-27(12)24-15)8-2-3-9-14(21-8)26(25-23-9)5-4-10(17)18/h2-3,6,10H,4-5H2,1H3,(H3,19,20,22,24).
What are the key properties of 5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 377.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,3-difluoropropyl)triazolo[4,5-b]pyridin-5-yl]-6-fluoro-2-N-methylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 178001168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).