4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile

C27H27N5O — CID 122584033

IUPAC4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)nc(OC[C@@H]3CCCN(C)C3)n3ccnc23)cc1
InChIInChI=1S/C27H27N5O/c1-19-5-9-22(10-6-19)24-25(23-11-7-20(16-28)8-12-23)30-27(32-15-13-29-26(24)32)33-18-21-4-3-14-31(2)17-21/h5-13,15,21H,3-4,14,17-18H2,1-2H3/t21-/m1/s1
InChIKeyRYMOFGNSUGYHCL-OAQYLSRUSA-N
MW437.55 g/mol
LogP4.96
Rot. Bonds5

About 4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile

4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile (PubChem CID 122584033) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
PubChem CID122584033
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC Name4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
SMILESCc1ccc(-c2c(-c3ccc(C#N)cc3)nc(OC[C@@H]3CCCN(C)C3)n3ccnc23)cc1
InChIInChI=1S/C27H27N5O/c1-19-5-9-22(10-6-19)24-25(23-11-7-20(16-28)8-12-23)30-27(32-15-13-29-26(24)32)33-18-21-4-3-14-31(2)17-21/h5-13,15,21H,3-4,14,17-18H2,1-2H3/t21-/m1/s1
InChIKeyRYMOFGNSUGYHCL-OAQYLSRUSA-N
XLogP4.96
TPSA66.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[8-[3-(hydroxymethyl)-4-methylphenyl]-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 122584014
4-[8-[3-fluoro-4-(hydroxymethyl)phenyl]-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 122584072
[5-[7-(4-cyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-2-(dimethylamino)-3-fluorophenyl] formate
CID 146497025
4-[5-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]methoxy]-8-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 122584049
4-[8-(3-fluoro-4-methoxyphenyl)-5-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 155401863
4-[8-[1-(1-hydroxyethyl)-4-methylcyclohexa-2,4-dien-1-yl]-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 155173016
4-[5-[[1-(2-hydroxyethyl)piperidin-3-yl]methoxy]-8-(5-methylcyclooctyl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 145166160
5-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-1,3-dimethylbenzimidazol-2-one
CID 140744661
6-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 140744636
7-[7-(4-isocyanophenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-8-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 140744760
[4-[5-[[(3R)-1-ethylpiperidin-3-yl]methoxy]-7-(4-isocyanophenyl)imidazo[1,2-c]pyrimidin-8-yl]-2-fluoro-6-methylphenyl]methanol
CID 140744706
7-(4-isocyanophenyl)-5-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]-8-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-c]pyrimidine
CID 140744646

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The IUPAC name of 4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile (CID 122584033) is 4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile.
What is the SMILES notation for 4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The canonical SMILES for 4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile is Cc1ccc(-c2c(-c3ccc(C#N)cc3)nc(OC[C@@H]3CCCN(C)C3)n3ccnc23)cc1.
What is the InChIKey of 4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
The InChIKey is RYMOFGNSUGYHCL-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H27N5O/c1-19-5-9-22(10-6-19)24-25(23-11-7-20(16-28)8-12-23)30-27(32-15-13-29-26(24)32)33-18-21-4-3-14-31(2)17-21/h5-13,15,21H,3-4,14,17-18H2,1-2H3/t21-/m1/s1.
What are the key properties of 4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile?
4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile has a molecular weight of 437.55 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile is sourced from PubChem (CID 122584033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).