2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine

C16H21FN8O — CID 135225992

IUPAC2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1nn(C)cc1Nc1nc(N2C[C@@H](C)[C@H](F)C2)nn2c(C)cnc12
InChIInChI=1S/C16H21FN8O/c1-9-6-24(7-11(9)17)16-20-13(14-18-5-10(2)25(14)22-16)19-12-8-23(3)21-15(12)26-4/h5,8-9,11H,6-7H2,1-4H3,(H,19,20,22)/t9-,11-/m1/s1
InChIKeyGDTIPHNNNWRHST-MWLCHTKSSA-N
MW360.40 g/mol
LogP1.71
Rot. Bonds4

About 2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine

2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 135225992) has the molecular formula C16H21FN8O and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID135225992
Molecular FormulaC16H21FN8O
Molecular Weight360.40 g/mol
Exact Mass360.18
IUPAC Name2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1nn(C)cc1Nc1nc(N2C[C@@H](C)[C@H](F)C2)nn2c(C)cnc12
InChIInChI=1S/C16H21FN8O/c1-9-6-24(7-11(9)17)16-20-13(14-18-5-10(2)25(14)22-16)19-12-8-23(3)21-15(12)26-4/h5,8-9,11H,6-7H2,1-4H3,(H,19,20,22)/t9-,11-/m1/s1
InChIKeyGDTIPHNNNWRHST-MWLCHTKSSA-N
XLogP1.71
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine (CID 135225992) is 2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine is COc1nn(C)cc1Nc1nc(N2C[C@@H](C)[C@H](F)C2)nn2c(C)cnc12.
What is the InChIKey of 2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is GDTIPHNNNWRHST-MWLCHTKSSA-N. The full InChI is InChI=1S/C16H21FN8O/c1-9-6-24(7-11(9)17)16-20-13(14-18-5-10(2)25(14)22-16)19-12-8-23(3)21-15(12)26-4/h5,8-9,11H,6-7H2,1-4H3,(H,19,20,22)/t9-,11-/m1/s1.
What are the key properties of 2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine?
2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 360.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-fluoro-4-methylpyrrolidin-1-yl]-N-(3-methoxy-1-methylpyrazol-4-yl)-7-methylimidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 135225992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).