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

C18H18FN7 — CID 176928282

IUPAC(Z)-2-(3-fluoro-2-pyridinyl)-1-[(4R)-5-(6-methylpyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]ethenamine
SMILESCc1cncc(N2CCc3[nH]cnc3[C@H]2/C(N)=C/c2ncccc2F)n1
InChIInChI=1S/C18H18FN7/c1-11-8-21-9-16(25-11)26-6-4-14-17(24-10-23-14)18(26)13(20)7-15-12(19)3-2-5-22-15/h2-3,5,7-10,18H,4,6,20H2,1H3,(H,23,24)/b13-7-/t18-/m1/s1
InChIKeyUBXJXIQGPFOYII-MEVIEEELSA-N
MW351.39 g/mol
LogP2.15
Rot. Bonds3

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

(Z)-2-(3-fluoro-2-pyridinyl)-1-[(4R)-5-(6-methylpyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]ethenamine (PubChem CID 176928282) has the molecular formula C18H18FN7 and a molecular weight of 351.39 g/mol. Its IUPAC name is (Z)-2-(3-fluoro-2-pyridinyl)-1-[(4R)-5-(6-methylpyrazin-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-[(4R)-5-(6-methylpyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]ethenamine
PubChem CID176928282
Molecular FormulaC18H18FN7
Molecular Weight351.39 g/mol
Exact Mass351.16
IUPAC Name(Z)-2-(3-fluoro-2-pyridinyl)-1-[(4R)-5-(6-methylpyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]ethenamine
SMILESCc1cncc(N2CCc3[nH]cnc3[C@H]2/C(N)=C/c2ncccc2F)n1
InChIInChI=1S/C18H18FN7/c1-11-8-21-9-16(25-11)26-6-4-14-17(24-10-23-14)18(26)13(20)7-15-12(19)3-2-5-22-15/h2-3,5,7-10,18H,4,6,20H2,1H3,(H,23,24)/b13-7-/t18-/m1/s1
InChIKeyUBXJXIQGPFOYII-MEVIEEELSA-N
XLogP2.15
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (Z)-2-(3-fluoro-2-pyridinyl)-1-[(4R)-5-(6-methylpyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]ethenamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-fluoro-2-pyridinyl)-1-[(4R)-5-(6-methylpyrazin-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-[(4R)-5-(6-methylpyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]ethenamine (CID 176928282) is (Z)-2-(3-fluoro-2-pyridinyl)-1-[(4R)-5-(6-methylpyrazin-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-[(4R)-5-(6-methylpyrazin-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-[(4R)-5-(6-methylpyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]ethenamine is Cc1cncc(N2CCc3[nH]cnc3[C@H]2/C(N)=C/c2ncccc2F)n1.
What is the InChIKey of (Z)-2-(3-fluoro-2-pyridinyl)-1-[(4R)-5-(6-methylpyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]ethenamine?
The InChIKey is UBXJXIQGPFOYII-MEVIEEELSA-N. The full InChI is InChI=1S/C18H18FN7/c1-11-8-21-9-16(25-11)26-6-4-14-17(24-10-23-14)18(26)13(20)7-15-12(19)3-2-5-22-15/h2-3,5,7-10,18H,4,6,20H2,1H3,(H,23,24)/b13-7-/t18-/m1/s1.
What are the key properties of (Z)-2-(3-fluoro-2-pyridinyl)-1-[(4R)-5-(6-methylpyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]ethenamine?
(Z)-2-(3-fluoro-2-pyridinyl)-1-[(4R)-5-(6-methylpyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]ethenamine has a molecular weight of 351.39 g/mol, XLogP of 2.15, 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-[(4R)-5-(6-methylpyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]ethenamine is sourced from PubChem (CID 176928282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).