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

C18H18FN7O2 — CID 170641978

IUPACN-[(3S,4R)-3-fluorooxan-4-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1nc(N[C@@H]2CCOC[C@H]2F)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C18H18FN7O2/c1-27-16-15-12(11-8-21-18-20-4-6-25(18)9-11)2-5-26(15)24-17(23-16)22-14-3-7-28-10-13(14)19/h2,4-6,8-9,13-14H,3,7,10H2,1H3,(H,22,24)/t13-,14-/m1/s1
InChIKeyYAIRQSKMORQYEZ-ZIAGYGMSSA-N
MW383.39 g/mol
LogP1.99
Rot. Bonds4

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

N-[(3S,4R)-3-fluorooxan-4-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 170641978) has the molecular formula C18H18FN7O2 and a molecular weight of 383.39 g/mol. Its IUPAC name is N-[(3S,4R)-3-fluorooxan-4-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound NameN-[(3S,4R)-3-fluorooxan-4-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID170641978
Molecular FormulaC18H18FN7O2
Molecular Weight383.39 g/mol
Exact Mass383.15
IUPAC NameN-[(3S,4R)-3-fluorooxan-4-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1nc(N[C@@H]2CCOC[C@H]2F)nn2ccc(-c3cnc4nccn4c3)c12
InChIInChI=1S/C18H18FN7O2/c1-27-16-15-12(11-8-21-18-20-4-6-25(18)9-11)2-5-26(15)24-17(23-16)22-14-3-7-28-10-13(14)19/h2,4-6,8-9,13-14H,3,7,10H2,1H3,(H,22,24)/t13-,14-/m1/s1
InChIKeyYAIRQSKMORQYEZ-ZIAGYGMSSA-N
XLogP1.99
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(3S,4R)-3-fluorooxan-4-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-fluorooxan-4-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of N-[(3S,4R)-3-fluorooxan-4-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 170641978) is N-[(3S,4R)-3-fluorooxan-4-yl]-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-[(3S,4R)-3-fluorooxan-4-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for N-[(3S,4R)-3-fluorooxan-4-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1nc(N[C@@H]2CCOC[C@H]2F)nn2ccc(-c3cnc4nccn4c3)c12.
What is the InChIKey of N-[(3S,4R)-3-fluorooxan-4-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is YAIRQSKMORQYEZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H18FN7O2/c1-27-16-15-12(11-8-21-18-20-4-6-25(18)9-11)2-5-26(15)24-17(23-16)22-14-3-7-28-10-13(14)19/h2,4-6,8-9,13-14H,3,7,10H2,1H3,(H,22,24)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-3-fluorooxan-4-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine?
N-[(3S,4R)-3-fluorooxan-4-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 383.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-fluorooxan-4-yl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 170641978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).