3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline

C21H16F2N4 — CID 155049271

IUPAC3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline
SMILESFc1cccc(F)c1-c1cc2c(nn1)C(c1cccc3nccn13)CCC2
InChIInChI=1S/C21H16F2N4/c22-15-6-2-7-16(23)20(15)17-12-13-4-1-5-14(21(13)26-25-17)18-8-3-9-19-24-10-11-27(18)19/h2-3,6-12,14H,1,4-5H2
InChIKeyJREOMMWIXCGTNP-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.54
Rot. Bonds2

About 3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline

3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline (PubChem CID 155049271) has the molecular formula C21H16F2N4 and a molecular weight of 362.38 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline
PubChem CID155049271
Molecular FormulaC21H16F2N4
Molecular Weight362.38 g/mol
Exact Mass362.13
IUPAC Name3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline
SMILESFc1cccc(F)c1-c1cc2c(nn1)C(c1cccc3nccn13)CCC2
InChIInChI=1S/C21H16F2N4/c22-15-6-2-7-16(23)20(15)17-12-13-4-1-5-14(21(13)26-25-17)18-8-3-9-19-24-10-11-27(18)19/h2-3,6-12,14H,1,4-5H2
InChIKeyJREOMMWIXCGTNP-UHFFFAOYSA-N
XLogP4.54
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline?
The IUPAC name of 3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline (CID 155049271) is 3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline.
What is the SMILES notation for 3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline?
The canonical SMILES for 3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline is Fc1cccc(F)c1-c1cc2c(nn1)C(c1cccc3nccn13)CCC2.
What is the InChIKey of 3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline?
The InChIKey is JREOMMWIXCGTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4/c22-15-6-2-7-16(23)20(15)17-12-13-4-1-5-14(21(13)26-25-17)18-8-3-9-19-24-10-11-27(18)19/h2-3,6-12,14H,1,4-5H2.
What are the key properties of 3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline?
3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline has a molecular weight of 362.38 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-8-imidazo[1,2-a]pyridin-5-yl-5,6,7,8-tetrahydrocinnoline is sourced from PubChem (CID 155049271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).