acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C24H28FN9O — CID 143606443

IUPACacetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC#C.CC(C)n1cnc(Nc2nc(N3CCCC3)nn3cccc23)c1.O=CNc1ccc(F)nc1
InChIInChI=1S/C16H21N7.C6H5FN2O.C2H2/c1-12(2)22-10-14(17-11-22)18-15-13-6-5-9-23(13)20-16(19-15)21-7-3-4-8-21;7-6-2-1-5(3-8-6)9-4-10;1-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,19,20);1-4H,(H,9,10);1-2H
InChIKeyUBQSWWFQWOHVLK-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.89
Rot. Bonds6

About acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 143606443) has the molecular formula C24H28FN9O and a molecular weight of 477.55 g/mol. Its IUPAC name is acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Nameacetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID143606443
Molecular FormulaC24H28FN9O
Molecular Weight477.55 g/mol
Exact Mass477.24
IUPAC Nameacetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC#C.CC(C)n1cnc(Nc2nc(N3CCCC3)nn3cccc23)c1.O=CNc1ccc(F)nc1
InChIInChI=1S/C16H21N7.C6H5FN2O.C2H2/c1-12(2)22-10-14(17-11-22)18-15-13-6-5-9-23(13)20-16(19-15)21-7-3-4-8-21;7-6-2-1-5(3-8-6)9-4-10;1-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,19,20);1-4H,(H,9,10);1-2H
InChIKeyUBQSWWFQWOHVLK-UHFFFAOYSA-N
XLogP3.89
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
CID 142498510
N-(1-cyclopropylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;methanol
CID 142498540
N-(1-cyclobutylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 142498660
(2S,4S)-4-hydroxy-1-[4-[(1-propan-2-ylimidazol-4-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidine-2-carboxamide
CID 90243334
acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide
CID 143606577
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58095931
2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 68840389
(2S)-N-(6-fluoro-3-pyridinyl)-2,4,4-trimethyl-1-[4-[(1-propan-2-ylimidazol-4-yl)amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]pyrrolidine-2-carboxamide
CID 66971815
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-2-methylpyrrolidine-2-carboxamide
CID 24785538
(1-hydroxycyclopropyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 58532779
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide
CID 143606616
N-[1-(3,4-dimethoxy-5-methylphenyl)imidazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 163451204

Frequently Asked Questions

What is the IUPAC name of acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 143606443) is acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is C#C.CC(C)n1cnc(Nc2nc(N3CCCC3)nn3cccc23)c1.O=CNc1ccc(F)nc1.
What is the InChIKey of acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is UBQSWWFQWOHVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7.C6H5FN2O.C2H2/c1-12(2)22-10-14(17-11-22)18-15-13-6-5-9-23(13)20-16(19-15)21-7-3-4-8-21;7-6-2-1-5(3-8-6)9-4-10;1-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,19,20);1-4H,(H,9,10);1-2H.
What are the key properties of acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 477.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 143606443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).