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

C28H25N5O2 — CID 118647468

IUPAC4-[5-furo[3,2-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(-c3cnc4ccoc4c3)n3cncc23)C1
InChIInChI=1S/C28H25N5O2/c1-32-9-2-3-20(16-32)17-35-27-12-23(21-6-4-19(13-29)5-7-21)28(33-18-30-15-25(27)33)22-11-26-24(31-14-22)8-10-34-26/h4-8,10-12,14-15,18,20H,2-3,9,16-17H2,1H3/t20-/m1/s1
InChIKeyOKXHIKSIRZDIOQ-HXUWFJFHSA-N
MW463.54 g/mol
LogP5.40
Rot. Bonds5

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

4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647468) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-methylpiperidin-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-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118647468
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC Name4-[5-furo[3,2-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(-c3cnc4ccoc4c3)n3cncc23)C1
InChIInChI=1S/C28H25N5O2/c1-32-9-2-3-20(16-32)17-35-27-12-23(21-6-4-19(13-29)5-7-21)28(33-18-30-15-25(27)33)22-11-26-24(31-14-22)8-10-34-26/h4-8,10-12,14-15,18,20H,2-3,9,16-17H2,1H3/t20-/m1/s1
InChIKeyOKXHIKSIRZDIOQ-HXUWFJFHSA-N
XLogP5.40
TPSA79.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-furo[3,2-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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Related Compounds

6-Furan-2-yl-9-(4-isopropyl-benzyl)-9H-purin-2-ylamine
CID 9945542
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide
CID 10247814
Ethyl 5-(furan-2-ylmethylamino)-8-phenylimidazo[1,5-c]pyrimidine-1-carboxylate
CID 155580134
[3-[2-(Furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 44528228
3-Benzyl-2-(furan-2-yl)-6-methylimidazo[1,2-a]pyridine
CID 51359014
2-(Furan-2-yl)-3-[(4-methylphenyl)methyl]imidazo[2,1-a]isoquinoline
CID 51359027
4-(2-Furyl)-1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridine
CID 53249096
2-(Furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline
CID 53299389
11-Phenyl-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 72725107
11-(4-Methylphenyl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 72725108
1-Benzyl-4-(furan-2-yl)imidazo[4,5-c]pyridine
CID 145977493
4-[4-(Pyrimidin-2-yl)piperazin-1-yl][1]benzofuro[3,2-d]pyrimidine
CID 660262

Frequently Asked Questions

What is the IUPAC name of 4-[5-furo[3,2-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-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647468) is 4-[5-furo[3,2-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-furo[3,2-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-furo[3,2-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(-c3cnc4ccoc4c3)n3cncc23)C1.
What is the InChIKey of 4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is OKXHIKSIRZDIOQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-32-9-2-3-20(16-32)17-35-27-12-23(21-6-4-19(13-29)5-7-21)28(33-18-30-15-25(27)33)22-11-26-24(31-14-22)8-10-34-26/h4-8,10-12,14-15,18,20H,2-3,9,16-17H2,1H3/t20-/m1/s1.
What are the key properties of 4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 463.54 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).