4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

C30H29N5O3 — CID 118647585

IUPAC4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOCCN1CCC[C@@H](COc2cc(-c3ccc(C#N)cc3)c(-c3cnc4ccoc4c3)n3cncc23)C1
InChIInChI=1S/C30H29N5O3/c1-36-12-10-34-9-2-3-22(18-34)19-38-29-14-25(23-6-4-21(15-31)5-7-23)30(35-20-32-17-27(29)35)24-13-28-26(33-16-24)8-11-37-28/h4-8,11,13-14,16-17,20,22H,2-3,9-10,12,18-19H2,1H3/t22-/m1/s1
InChIKeyOBMWNDRBYDVHJU-JOCHJYFZSA-N
MW507.59 g/mol
LogP5.42
Rot. Bonds8

About 4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647585) has the molecular formula C30H29N5O3 and a molecular weight of 507.59 g/mol. Its IUPAC name is 4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118647585
Molecular FormulaC30H29N5O3
Molecular Weight507.59 g/mol
Exact Mass507.23
IUPAC Name4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOCCN1CCC[C@@H](COc2cc(-c3ccc(C#N)cc3)c(-c3cnc4ccoc4c3)n3cncc23)C1
InChIInChI=1S/C30H29N5O3/c1-36-12-10-34-9-2-3-22(18-34)19-38-29-14-25(23-6-4-21(15-31)5-7-23)30(35-20-32-17-27(29)35)24-13-28-26(33-16-24)8-11-37-28/h4-8,11,13-14,16-17,20,22H,2-3,9-10,12,18-19H2,1H3/t22-/m1/s1
InChIKeyOBMWNDRBYDVHJU-JOCHJYFZSA-N
XLogP5.42
TPSA88.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-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-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647585) is 4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is COCCN1CCC[C@@H](COc2cc(-c3ccc(C#N)cc3)c(-c3cnc4ccoc4c3)n3cncc23)C1.
What is the InChIKey of 4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is OBMWNDRBYDVHJU-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H29N5O3/c1-36-12-10-34-9-2-3-22(18-34)19-38-29-14-25(23-6-4-21(15-31)5-7-23)30(35-20-32-17-27(29)35)24-13-28-26(33-16-24)8-11-37-28/h4-8,11,13-14,16-17,20,22H,2-3,9-10,12,18-19H2,1H3/t22-/m1/s1.
What are the key properties of 4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 507.59 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).