6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide

C17H12FN7O — CID 126499545

IUPAC6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1
InChIInChI=1S/C17H12FN7O/c18-10-9-20-7-6-11(10)22-17-14-5-2-8-25(14)24-16(23-17)13-4-1-3-12(21-13)15(19)26/h1-9H,(H2,19,26)(H,20,22,23,24)
InChIKeyWWSGCVRZKMZHNJ-UHFFFAOYSA-N
MW349.33 g/mol
LogP2.17
Rot. Bonds4

About 6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide

6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide (PubChem CID 126499545) has the molecular formula C17H12FN7O and a molecular weight of 349.33 g/mol. Its IUPAC name is 6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide
PubChem CID126499545
Molecular FormulaC17H12FN7O
Molecular Weight349.33 g/mol
Exact Mass349.11
IUPAC Name6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1
InChIInChI=1S/C17H12FN7O/c18-10-9-20-7-6-11(10)22-17-14-5-2-8-25(14)24-16(23-17)13-4-1-3-12(21-13)15(19)26/h1-9H,(H2,19,26)(H,20,22,23,24)
InChIKeyWWSGCVRZKMZHNJ-UHFFFAOYSA-N
XLogP2.17
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328445
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (2-cyclohexyl-5-pyridin-2-yl-2H-pyrazol-3-yl)-amide
CID 53328447
6-cyclopropyl-N-[1-(2-methylpropyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328989
N-[1-(cyclopentylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329168
N-[1-(cyclohexylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329169
6-ethyl-N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329171
7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
CID 155925933
6-methyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328248
6-cyclopropyl-N-[1-(4-fluorophenyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328249
6-cyclopropyl-N-(1-pyridin-4-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328250
6-cyclopropyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 53328251
6-cyclopropyl-N-[1-(2-phenylethyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328634

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide (CID 126499545) is 6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide is NC(=O)c1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1.
What is the InChIKey of 6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide?
The InChIKey is WWSGCVRZKMZHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN7O/c18-10-9-20-7-6-11(10)22-17-14-5-2-8-25(14)24-16(23-17)13-4-1-3-12(21-13)15(19)26/h1-9H,(H2,19,26)(H,20,22,23,24).
What are the key properties of 6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide?
6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide has a molecular weight of 349.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 126499545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).