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

C27H26FN5O2 — CID 118647567

IUPAC4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOc1ncc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cc1F
InChIInChI=1S/C27H26FN5O2/c1-32-9-3-4-19(15-32)16-35-25-11-22(20-7-5-18(12-29)6-8-20)26(33-17-30-14-24(25)33)21-10-23(28)27(34-2)31-13-21/h5-8,10-11,13-14,17,19H,3-4,9,15-16H2,1-2H3/t19-/m1/s1
InChIKeyCXYHLLSLJBMTQC-LJQANCHMSA-N
MW471.54 g/mol
LogP4.80
Rot. Bonds6

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

4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647567) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is 4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118647567
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC Name4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOc1ncc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cc1F
InChIInChI=1S/C27H26FN5O2/c1-32-9-3-4-19(15-32)16-35-25-11-22(20-7-5-18(12-29)6-8-20)26(33-17-30-14-24(25)33)21-10-23(28)27(34-2)31-13-21/h5-8,10-11,13-14,17,19H,3-4,9,15-16H2,1-2H3/t19-/m1/s1
InChIKeyCXYHLLSLJBMTQC-LJQANCHMSA-N
XLogP4.80
TPSA75.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647567) is 4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is COc1ncc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cc1F.
What is the InChIKey of 4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is CXYHLLSLJBMTQC-LJQANCHMSA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-32-9-3-4-19(15-32)16-35-25-11-22(20-7-5-18(12-29)6-8-20)26(33-17-30-14-24(25)33)21-10-23(28)27(34-2)31-13-21/h5-8,10-11,13-14,17,19H,3-4,9,15-16H2,1-2H3/t19-/m1/s1.
What are the key properties of 4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 471.54 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoro-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).