4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

C29H29N5O2 — CID 118647353

IUPAC4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCN1CCC[C@@H](COc2cc(-c3ccc(C#N)cc3)c(-c3cnc4c(c3)CCCO4)n3cncc23)C1
InChIInChI=1S/C29H29N5O2/c1-33-10-2-4-21(17-33)18-36-27-13-25(22-8-6-20(14-30)7-9-22)28(34-19-31-16-26(27)34)24-12-23-5-3-11-35-29(23)32-15-24/h6-9,12-13,15-16,19,21H,2-5,10-11,17-18H2,1H3/t21-/m1/s1
InChIKeyJAPUFPSNINBRJD-OAQYLSRUSA-N
MW479.58 g/mol
LogP4.98
Rot. Bonds5

About 4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647353) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118647353
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCN1CCC[C@@H](COc2cc(-c3ccc(C#N)cc3)c(-c3cnc4c(c3)CCCO4)n3cncc23)C1
InChIInChI=1S/C29H29N5O2/c1-33-10-2-4-21(17-33)18-36-27-13-25(22-8-6-20(14-30)7-9-22)28(34-19-31-16-26(27)34)24-12-23-5-3-11-35-29(23)32-15-24/h6-9,12-13,15-16,19,21H,2-5,10-11,17-18H2,1H3/t21-/m1/s1
InChIKeyJAPUFPSNINBRJD-OAQYLSRUSA-N
XLogP4.98
TPSA75.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647353) is 4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is CN1CCC[C@@H](COc2cc(-c3ccc(C#N)cc3)c(-c3cnc4c(c3)CCCO4)n3cncc23)C1.
What is the InChIKey of 4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is JAPUFPSNINBRJD-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-33-10-2-4-21(17-33)18-36-27-13-25(22-8-6-20(14-30)7-9-22)28(34-19-31-16-26(27)34)24-12-23-5-3-11-35-29(23)32-15-24/h6-9,12-13,15-16,19,21H,2-5,10-11,17-18H2,1H3/t21-/m1/s1.
What are the key properties of 4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 479.58 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).