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

C27H27N5O2 — CID 118647361

IUPAC4-[5-(6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOc1ccc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cn1
InChIInChI=1S/C27H27N5O2/c1-31-11-3-4-20(16-31)17-34-25-12-23(21-7-5-19(13-28)6-8-21)27(32-18-29-15-24(25)32)22-9-10-26(33-2)30-14-22/h5-10,12,14-15,18,20H,3-4,11,16-17H2,1-2H3/t20-/m1/s1
InChIKeyRSPJFLWUMGSTQL-HXUWFJFHSA-N
MW453.55 g/mol
LogP4.66
Rot. Bonds6

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

4-[5-(6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647361) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-[5-(6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118647361
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name4-[5-(6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOc1ccc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cn1
InChIInChI=1S/C27H27N5O2/c1-31-11-3-4-20(16-31)17-34-25-12-23(21-7-5-19(13-28)6-8-21)27(32-18-29-15-24(25)32)22-9-10-26(33-2)30-14-22/h5-10,12,14-15,18,20H,3-4,11,16-17H2,1-2H3/t20-/m1/s1
InChIKeyRSPJFLWUMGSTQL-HXUWFJFHSA-N
XLogP4.66
TPSA75.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 10479214
CID 25094493
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CID 46900778
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CID 56648951
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CID 92044504
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CID 134179257
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CID 134179269
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CID 146659129
CID 146659129

Frequently Asked Questions

What is the IUPAC name of 4-[5-(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-(6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647361) is 4-[5-(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-(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-(6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is COc1ccc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cn1.
What is the InChIKey of 4-[5-(6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is RSPJFLWUMGSTQL-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-31-11-3-4-20(16-31)17-34-25-12-23(21-7-5-19(13-28)6-8-21)27(32-18-29-15-24(25)32)22-9-10-26(33-2)30-14-22/h5-10,12,14-15,18,20H,3-4,11,16-17H2,1-2H3/t20-/m1/s1.
What are the key properties of 4-[5-(6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-(6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 453.55 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).