N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C23H21FN6 — CID 126499741

IUPACN-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)CC#CCc1ccn2nc(-c3ccccn3)nc(Nc3ccncc3F)c12
InChIInChI=1S/C23H21FN6/c1-16(2)7-3-4-8-17-11-14-30-21(17)23(27-19-10-13-25-15-18(19)24)28-22(29-30)20-9-5-6-12-26-20/h5-6,9-16H,7-8H2,1-2H3,(H,25,27,28,29)
InChIKeyAOMGCHCCZJRSKI-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.66
Rot. Bonds5

About N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126499741) has the molecular formula C23H21FN6 and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126499741
Molecular FormulaC23H21FN6
Molecular Weight400.46 g/mol
Exact Mass400.18
IUPAC NameN-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)CC#CCc1ccn2nc(-c3ccccn3)nc(Nc3ccncc3F)c12
InChIInChI=1S/C23H21FN6/c1-16(2)7-3-4-8-17-11-14-30-21(17)23(27-19-10-13-25-15-18(19)24)28-22(29-30)20-9-5-6-12-26-20/h5-6,9-16H,7-8H2,1-2H3,(H,25,27,28,29)
InChIKeyAOMGCHCCZJRSKI-UHFFFAOYSA-N
XLogP4.66
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;2-methylbutane;3-methyl-4-propylheptane
CID 145235959
4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]butan-2-ol
CID 126484423
N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126484409
(3R)-1-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]pyrrolidin-3-ol
CID 126484455
N-(3-fluoro-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499823
2-butylpiperidine;ethane;5-ethyl-N-(3-fluoro-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145236110
3-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]adamantan-1-ol
CID 135271423
N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126484445
1-[[4-[(3-fluoro-4-pyridinyl)amino]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]-2-methylpropan-2-ol
CID 126499713
N-(3-fluoro-4-pyridinyl)-2-(6-methoxy-2-pyridinyl)-5-propoxypyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145236206
N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499651
5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 163501692

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126499741) is N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is CC(C)CC#CCc1ccn2nc(-c3ccccn3)nc(Nc3ccncc3F)c12.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is AOMGCHCCZJRSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6/c1-16(2)7-3-4-8-17-11-14-30-21(17)23(27-19-10-13-25-15-18(19)24)28-22(29-30)20-9-5-6-12-26-20/h5-6,9-16H,7-8H2,1-2H3,(H,25,27,28,29).
What are the key properties of N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 400.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126499741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).