3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one

C22H16F2N4O2 — CID 44546884

IUPAC3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESO=c1c2[nH]cc(C(O)c3ccc(F)cc3F)c2ccn1Cc1cn2ccccc2n1
InChIInChI=1S/C22H16F2N4O2/c23-13-4-5-16(18(24)9-13)21(29)17-10-25-20-15(17)6-8-28(22(20)30)12-14-11-27-7-2-1-3-19(27)26-14/h1-11,21,25,29H,12H2
InChIKeyITMIOFOHERPKMT-UHFFFAOYSA-N
MW406.39 g/mol
LogP3.39
Rot. Bonds4

About 3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one

3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 44546884) has the molecular formula C22H16F2N4O2 and a molecular weight of 406.39 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID44546884
Molecular FormulaC22H16F2N4O2
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC Name3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESO=c1c2[nH]cc(C(O)c3ccc(F)cc3F)c2ccn1Cc1cn2ccccc2n1
InChIInChI=1S/C22H16F2N4O2/c23-13-4-5-16(18(24)9-13)21(29)17-10-25-20-15(17)6-8-28(22(20)30)12-14-11-27-7-2-1-3-19(27)26-14/h1-11,21,25,29H,12H2
InChIKeyITMIOFOHERPKMT-UHFFFAOYSA-N
XLogP3.39
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one (CID 44546884) is 3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one is O=c1c2[nH]cc(C(O)c3ccc(F)cc3F)c2ccn1Cc1cn2ccccc2n1.
What is the InChIKey of 3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is ITMIOFOHERPKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2/c23-13-4-5-16(18(24)9-13)21(29)17-10-25-20-15(17)6-8-28(22(20)30)12-14-11-27-7-2-1-3-19(27)26-14/h1-11,21,25,29H,12H2.
What are the key properties of 3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 406.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)-hydroxymethyl]-6-(imidazo[1,2-a]pyridin-2-ylmethyl)-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 44546884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).