4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide

C52H62N6O4 — CID 159413483

IUPAC4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C2CCC([C@@H](O)c3c(C4CC4)ccc4cncn34)CC2)cc1.CN(C)C(=O)c1ccc(C2CCC([C@H](O)c3c(C4CC4)ccc4cncn34)CC2)cc1
InChIInChI=1S/2C26H31N3O2/c2*1-28(2)26(31)21-11-5-18(6-12-21)17-3-9-20(10-4-17)25(30)24-23(19-7-8-19)14-13-22-15-27-16-29(22)24/h2*5-6,11-17,19-20,25,30H,3-4,7-10H2,1-2H3/t2*17?,20?,25-/m10/s1
InChIKeyLOWKRUPHEWZZGP-MEPUFBBDSA-N
MW835.11 g/mol
LogP9.84
Rot. Bonds10

About 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide

4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide (PubChem CID 159413483) has the molecular formula C52H62N6O4 and a molecular weight of 835.11 g/mol. Its IUPAC name is 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide
PubChem CID159413483
Molecular FormulaC52H62N6O4
Molecular Weight835.11 g/mol
Exact Mass834.48
IUPAC Name4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(C2CCC([C@@H](O)c3c(C4CC4)ccc4cncn34)CC2)cc1.CN(C)C(=O)c1ccc(C2CCC([C@H](O)c3c(C4CC4)ccc4cncn34)CC2)cc1
InChIInChI=1S/2C26H31N3O2/c2*1-28(2)26(31)21-11-5-18(6-12-21)17-3-9-20(10-4-17)25(30)24-23(19-7-8-19)14-13-22-15-27-16-29(22)24/h2*5-6,11-17,19-20,25,30H,3-4,7-10H2,1-2H3/t2*17?,20?,25-/m10/s1
InChIKeyLOWKRUPHEWZZGP-MEPUFBBDSA-N
XLogP9.84
TPSA115.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.11
LogP ≤ 59.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

US10570118, Example 25
CID 130249444
(S)-4-(3-(1-(but-2-ynoyl) pyrrolidin-2-yl)-8-(hydroxymethyl)imidazo [1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide
CID 139465875
4-[2-[8-[2-[8-[2-(4-fluorophenyl)-2-hydroxypropyl]-12-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl]ethyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-hydroxyethyl]benzamide
CID 144430840
CID 157318935
CID 157318935
4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide
CID 157391324
Magnesium;cyclohexane;cyclohexyl-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methanol;methane;6-(trifluoromethyl)imidazo[1,5-a]pyridine-5-carbaldehyde;[6-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]methanol;chloride
CID 157525836
N-ethyl-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid
CID 157526992
1-[4-[8-(hydroxymethyl)-3-[(2S)-1-prop-1-ynylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157710889
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]methanol;(R)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-[2-(trifluoromethyl)phenyl]cyclohexyl]methanol
CID 158338826
N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzamide;2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoic acid
CID 159089216
4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid
CID 159475891
4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-N-ethyl-2-methylbenzamide;4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid
CID 159681781

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide (CID 159413483) is 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(C2CCC([C@@H](O)c3c(C4CC4)ccc4cncn34)CC2)cc1.CN(C)C(=O)c1ccc(C2CCC([C@H](O)c3c(C4CC4)ccc4cncn34)CC2)cc1.
What is the InChIKey of 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide?
The InChIKey is LOWKRUPHEWZZGP-MEPUFBBDSA-N. The full InChI is InChI=1S/2C26H31N3O2/c2*1-28(2)26(31)21-11-5-18(6-12-21)17-3-9-20(10-4-17)25(30)24-23(19-7-8-19)14-13-22-15-27-16-29(22)24/h2*5-6,11-17,19-20,25,30H,3-4,7-10H2,1-2H3/t2*17?,20?,25-/m10/s1.
What are the key properties of 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide?
4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide has a molecular weight of 835.11 g/mol, XLogP of 9.84, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide;4-[4-[(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-hydroxymethyl]cyclohexyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 159413483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).