2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol

C36H43N5O4 — CID 138612191

IUPAC2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol
SMILESCc1onc(Cc2ncn3c(C(O)C4CCCCC4O)c(C4CC4)ccc23)c1-c1ccc2cncn2c1C(O)C1CCCCC1
InChIInChI=1S/C36H43N5O4/c1-21-32(27-14-13-24-18-37-19-40(24)34(27)35(43)23-7-3-2-4-8-23)29(39-45-21)17-28-30-16-15-25(22-11-12-22)33(41(30)20-38-28)36(44)26-9-5-6-10-31(26)42/h13-16,18-20,22-23,26,31,35-36,42-44H,2-12,17H2,1H3
InChIKeyYYZYOWJDMVMYFK-UHFFFAOYSA-N
MW609.77 g/mol
LogP6.61
Rot. Bonds8

About 2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol

2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol (PubChem CID 138612191) has the molecular formula C36H43N5O4 and a molecular weight of 609.77 g/mol. Its IUPAC name is 2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol
PubChem CID138612191
Molecular FormulaC36H43N5O4
Molecular Weight609.77 g/mol
Exact Mass609.33
IUPAC Name2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol
SMILESCc1onc(Cc2ncn3c(C(O)C4CCCCC4O)c(C4CC4)ccc23)c1-c1ccc2cncn2c1C(O)C1CCCCC1
InChIInChI=1S/C36H43N5O4/c1-21-32(27-14-13-24-18-37-19-40(24)34(27)35(43)23-7-3-2-4-8-23)29(39-45-21)17-28-30-16-15-25(22-11-12-22)33(41(30)20-38-28)36(44)26-9-5-6-10-31(26)42/h13-16,18-20,22-23,26,31,35-36,42-44H,2-12,17H2,1H3
InChIKeyYYZYOWJDMVMYFK-UHFFFAOYSA-N
XLogP6.61
TPSA121.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 56.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol?
The IUPAC name of 2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol (CID 138612191) is 2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol is Cc1onc(Cc2ncn3c(C(O)C4CCCCC4O)c(C4CC4)ccc23)c1-c1ccc2cncn2c1C(O)C1CCCCC1.
What is the InChIKey of 2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol?
The InChIKey is YYZYOWJDMVMYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43N5O4/c1-21-32(27-14-13-24-18-37-19-40(24)34(27)35(43)23-7-3-2-4-8-23)29(39-45-21)17-28-30-16-15-25(22-11-12-22)33(41(30)20-38-28)36(44)26-9-5-6-10-31(26)42/h13-16,18-20,22-23,26,31,35-36,42-44H,2-12,17H2,1H3.
What are the key properties of 2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol?
2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol has a molecular weight of 609.77 g/mol, XLogP of 6.61, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[4-[5-[cyclohexyl(hydroxy)methyl]imidazo[1,5-a]pyridin-6-yl]-5-methyl-1,2-oxazol-3-yl]methyl]-6-cyclopropylimidazo[1,5-a]pyridin-5-yl]-hydroxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 138612191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).