(Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine

C17H16FN7 — CID 169164891

IUPAC(Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine
SMILESN/C(=C\c1ncccc1F)C1c2nc[nH]c2CCN1c1cnccn1
InChIInChI=1S/C17H16FN7/c18-11-2-1-4-21-14(11)8-12(19)17-16-13(23-10-24-16)3-7-25(17)15-9-20-5-6-22-15/h1-2,4-6,8-10,17H,3,7,19H2,(H,23,24)/b12-8-
InChIKeyFFRUBQPKDGJNSM-WQLSENKSSA-N
MW337.36 g/mol
LogP1.84
Rot. Bonds3

About (Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine

(Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine (PubChem CID 169164891) has the molecular formula C17H16FN7 and a molecular weight of 337.36 g/mol. Its IUPAC name is (Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine
PubChem CID169164891
Molecular FormulaC17H16FN7
Molecular Weight337.36 g/mol
Exact Mass337.15
IUPAC Name(Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine
SMILESN/C(=C\c1ncccc1F)C1c2nc[nH]c2CCN1c1cnccn1
InChIInChI=1S/C17H16FN7/c18-11-2-1-4-21-14(11)8-12(19)17-16-13(23-10-24-16)3-7-25(17)15-9-20-5-6-22-15/h1-2,4-6,8-10,17H,3,7,19H2,(H,23,24)/b12-8-
InChIKeyFFRUBQPKDGJNSM-WQLSENKSSA-N
XLogP1.84
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine?
The IUPAC name of (Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine (CID 169164891) is (Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine.
What is the SMILES notation for (Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine?
The canonical SMILES for (Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine is N/C(=C\c1ncccc1F)C1c2nc[nH]c2CCN1c1cnccn1.
What is the InChIKey of (Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine?
The InChIKey is FFRUBQPKDGJNSM-WQLSENKSSA-N. The full InChI is InChI=1S/C17H16FN7/c18-11-2-1-4-21-14(11)8-12(19)17-16-13(23-10-24-16)3-7-25(17)15-9-20-5-6-22-15/h1-2,4-6,8-10,17H,3,7,19H2,(H,23,24)/b12-8-.
What are the key properties of (Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine?
(Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine has a molecular weight of 337.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-fluoro-2-pyridinyl)-1-(5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl)ethenamine is sourced from PubChem (CID 169164891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).