6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one

C26H22N4O2 — CID 134809651

IUPAC6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(-c3cc4c(ccn4Cc4cccnc4)c(C4=CCOCC4)n3)cc21
InChIInChI=1S/C26H22N4O2/c31-26-22-12-19(3-4-20(22)15-28-26)23-13-24-21(25(29-23)18-6-10-32-11-7-18)5-9-30(24)16-17-2-1-8-27-14-17/h1-6,8-9,12-14H,7,10-11,15-16H2,(H,28,31)
InChIKeyFYNDFHLMHWROFT-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.19
Rot. Bonds4

About 6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one

6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one (PubChem CID 134809651) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one
PubChem CID134809651
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(-c3cc4c(ccn4Cc4cccnc4)c(C4=CCOCC4)n3)cc21
InChIInChI=1S/C26H22N4O2/c31-26-22-12-19(3-4-20(22)15-28-26)23-13-24-21(25(29-23)18-6-10-32-11-7-18)5-9-30(24)16-17-2-1-8-27-14-17/h1-6,8-9,12-14H,7,10-11,15-16H2,(H,28,31)
InChIKeyFYNDFHLMHWROFT-UHFFFAOYSA-N
XLogP4.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one (CID 134809651) is 6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2ccc(-c3cc4c(ccn4Cc4cccnc4)c(C4=CCOCC4)n3)cc21.
What is the InChIKey of 6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is FYNDFHLMHWROFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-26-22-12-19(3-4-20(22)15-28-26)23-13-24-21(25(29-23)18-6-10-32-11-7-18)5-9-30(24)16-17-2-1-8-27-14-17/h1-6,8-9,12-14H,7,10-11,15-16H2,(H,28,31).
What are the key properties of 6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one?
6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 422.49 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,6-dihydro-2H-pyran-4-yl)-1-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridin-6-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 134809651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).