N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine

C18H17F2N7O — CID 170657515

IUPACN-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1nc(NC2CCC(F)(F)C2)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C18H17F2N7O/c1-28-15-14-13(11-9-22-17-21-5-7-26(17)10-11)3-6-27(14)25-16(24-15)23-12-2-4-18(19,20)8-12/h3,5-7,9-10,12H,2,4,8H2,1H3,(H,23,25)
InChIKeyKFFVRIYUOLTFJX-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.05
Rot. Bonds4

About N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine

N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 170657515) has the molecular formula C18H17F2N7O and a molecular weight of 385.38 g/mol. Its IUPAC name is N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound NameN-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID170657515
Molecular FormulaC18H17F2N7O
Molecular Weight385.38 g/mol
Exact Mass385.15
IUPAC NameN-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1nc(NC2CCC(F)(F)C2)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C18H17F2N7O/c1-28-15-14-13(11-9-22-17-21-5-7-26(17)10-11)3-6-27(14)25-16(24-15)23-12-2-4-18(19,20)8-12/h3,5-7,9-10,12H,2,4,8H2,1H3,(H,23,25)
InChIKeyKFFVRIYUOLTFJX-UHFFFAOYSA-N
XLogP3.05
TPSA81.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 170657515) is N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1nc(NC2CCC(F)(F)C2)nn2ccc(-c3cnc4nccn4c3)c12.
What is the InChIKey of N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is KFFVRIYUOLTFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7O/c1-28-15-14-13(11-9-22-17-21-5-7-26(17)10-11)3-6-27(14)25-16(24-15)23-12-2-4-18(19,20)8-12/h3,5-7,9-10,12H,2,4,8H2,1H3,(H,23,25).
What are the key properties of N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 385.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclopentyl)-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 170657515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).