4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

C30H31N5O2 — CID 118647417

IUPAC4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(OC[C@@H]3CCNC3)c3cncn3c2-c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C30H31N5O2/c31-16-22-1-5-25(6-2-22)27-15-29(37-20-24-9-10-32-17-24)28-18-33-21-35(28)30(27)26-7-3-23(4-8-26)19-34-11-13-36-14-12-34/h1-8,15,18,21,24,32H,9-14,17,19-20H2/t24-/m1/s1
InChIKeyARQYTHBKGFTAIF-XMMPIXPASA-N
MW493.61 g/mol
LogP4.36
Rot. Bonds7

About 4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647417) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118647417
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC Name4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(OC[C@@H]3CCNC3)c3cncn3c2-c2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C30H31N5O2/c31-16-22-1-5-25(6-2-22)27-15-29(37-20-24-9-10-32-17-24)28-18-33-21-35(28)30(27)26-7-3-23(4-8-26)19-34-11-13-36-14-12-34/h1-8,15,18,21,24,32H,9-14,17,19-20H2/t24-/m1/s1
InChIKeyARQYTHBKGFTAIF-XMMPIXPASA-N
XLogP4.36
TPSA74.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647417) is 4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is N#Cc1ccc(-c2cc(OC[C@@H]3CCNC3)c3cncn3c2-c2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is ARQYTHBKGFTAIF-XMMPIXPASA-N. The full InChI is InChI=1S/C30H31N5O2/c31-16-22-1-5-25(6-2-22)27-15-29(37-20-24-9-10-32-17-24)28-18-33-21-35(28)30(27)26-7-3-23(4-8-26)19-34-11-13-36-14-12-34/h1-8,15,18,21,24,32H,9-14,17,19-20H2/t24-/m1/s1.
What are the key properties of 4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 493.61 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).