5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one

C21H16FN5O2 — CID 135980542

IUPAC5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
SMILESO=C(c1ccncc1)N1CCc2nc(-c3cc4c(F)cccc4[nH]c3=O)[nH]c2C1
InChIInChI=1S/C21H16FN5O2/c22-15-2-1-3-16-13(15)10-14(20(28)26-16)19-24-17-6-9-27(11-18(17)25-19)21(29)12-4-7-23-8-5-12/h1-5,7-8,10H,6,9,11H2,(H,24,25)(H,26,28)
InChIKeyCRKWQAPCRGNYRI-UHFFFAOYSA-N
MW389.39 g/mol
LogP2.65
Rot. Bonds2

About 5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one

5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (PubChem CID 135980542) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
PubChem CID135980542
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
SMILESO=C(c1ccncc1)N1CCc2nc(-c3cc4c(F)cccc4[nH]c3=O)[nH]c2C1
InChIInChI=1S/C21H16FN5O2/c22-15-2-1-3-16-13(15)10-14(20(28)26-16)19-24-17-6-9-27(11-18(17)25-19)21(29)12-4-7-23-8-5-12/h1-5,7-8,10H,6,9,11H2,(H,24,25)(H,26,28)
InChIKeyCRKWQAPCRGNYRI-UHFFFAOYSA-N
XLogP2.65
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The IUPAC name of 5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (CID 135980542) is 5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one is O=C(c1ccncc1)N1CCc2nc(-c3cc4c(F)cccc4[nH]c3=O)[nH]c2C1.
What is the InChIKey of 5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The InChIKey is CRKWQAPCRGNYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c22-15-2-1-3-16-13(15)10-14(20(28)26-16)19-24-17-6-9-27(11-18(17)25-19)21(29)12-4-7-23-8-5-12/h1-5,7-8,10H,6,9,11H2,(H,24,25)(H,26,28).
What are the key properties of 5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one has a molecular weight of 389.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[5-(pyridine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135980542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).