2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone

C21H15FN4O — CID 70943840

IUPAC2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone
SMILESO=C(c1nc(-c2ccc(F)cc2)n2ccccc12)N1CCc2cccnc21
InChIInChI=1S/C21H15FN4O/c22-16-8-6-15(7-9-16)20-24-18(17-5-1-2-12-25(17)20)21(27)26-13-10-14-4-3-11-23-19(14)26/h1-9,11-12H,10,13H2
InChIKeyILSDQPBBBGMOBN-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.74
Rot. Bonds2

About 2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone

2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone (PubChem CID 70943840) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is 2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone
PubChem CID70943840
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone
SMILESO=C(c1nc(-c2ccc(F)cc2)n2ccccc12)N1CCc2cccnc21
InChIInChI=1S/C21H15FN4O/c22-16-8-6-15(7-9-16)20-24-18(17-5-1-2-12-25(17)20)21(27)26-13-10-14-4-3-11-23-19(14)26/h1-9,11-12H,10,13H2
InChIKeyILSDQPBBBGMOBN-UHFFFAOYSA-N
XLogP3.74
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 58548152
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CID 748028
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CID 5289179
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CID 21604934
CID 21604934
CID 712408
CID 712408
CID 3071939
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CID 3071959
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CID 3071969
CID 3071969

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone?
The IUPAC name of 2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone (CID 70943840) is 2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone?
The canonical SMILES for 2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone is O=C(c1nc(-c2ccc(F)cc2)n2ccccc12)N1CCc2cccnc21.
What is the InChIKey of 2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone?
The InChIKey is ILSDQPBBBGMOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-16-8-6-15(7-9-16)20-24-18(17-5-1-2-12-25(17)20)21(27)26-13-10-14-4-3-11-23-19(14)26/h1-9,11-12H,10,13H2.
What are the key properties of 2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone?
2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone has a molecular weight of 358.38 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrolo[2,3-b]pyridin-1-yl-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methanone is sourced from PubChem (CID 70943840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).