5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol

C41H46N4O3 — CID 139501971

IUPAC5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol
SMILESOC1CC2CC1CC2C(Oc1ncc2c(C(O)C3CCC(c4ccccc4)CC3)c(C3CC3)ccn12)c1c(C2CC2)ccn2cncc12
InChIInChI=1S/C41H46N4O3/c46-36-20-29-18-30(36)19-33(29)40(38-32(27-10-11-27)14-16-44-23-42-21-34(38)44)48-41-43-22-35-37(31(26-8-9-26)15-17-45(35)41)39(47)28-12-6-25(7-13-28)24-4-2-1-3-5-24/h1-5,14-17,21-23,25-30,33,36,39-40,46-47H,6-13,18-20H2
InChIKeyTZEVBFCAPNJHEB-UHFFFAOYSA-N
MW642.84 g/mol
LogP8.27
Rot. Bonds9

About 5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol

5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol (PubChem CID 139501971) has the molecular formula C41H46N4O3 and a molecular weight of 642.84 g/mol. Its IUPAC name is 5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol
PubChem CID139501971
Molecular FormulaC41H46N4O3
Molecular Weight642.84 g/mol
Exact Mass642.36
IUPAC Name5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol
SMILESOC1CC2CC1CC2C(Oc1ncc2c(C(O)C3CCC(c4ccccc4)CC3)c(C3CC3)ccn12)c1c(C2CC2)ccn2cncc12
InChIInChI=1S/C41H46N4O3/c46-36-20-29-18-30(36)19-33(29)40(38-32(27-10-11-27)14-16-44-23-42-21-34(38)44)48-41-43-22-35-37(31(26-8-9-26)15-17-45(35)41)39(47)28-12-6-25(7-13-28)24-4-2-1-3-5-24/h1-5,14-17,21-23,25-30,33,36,39-40,46-47H,6-13,18-20H2
InChIKeyTZEVBFCAPNJHEB-UHFFFAOYSA-N
XLogP8.27
TPSA84.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.84
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol (CID 139501971) is 5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol is OC1CC2CC1CC2C(Oc1ncc2c(C(O)C3CCC(c4ccccc4)CC3)c(C3CC3)ccn12)c1c(C2CC2)ccn2cncc12.
What is the InChIKey of 5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol?
The InChIKey is TZEVBFCAPNJHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46N4O3/c46-36-20-29-18-30(36)19-33(29)40(38-32(27-10-11-27)14-16-44-23-42-21-34(38)44)48-41-43-22-35-37(31(26-8-9-26)15-17-45(35)41)39(47)28-12-6-25(7-13-28)24-4-2-1-3-5-24/h1-5,14-17,21-23,25-30,33,36,39-40,46-47H,6-13,18-20H2.
What are the key properties of 5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol?
5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol has a molecular weight of 642.84 g/mol, XLogP of 8.27, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-cyclopropyl-8-[hydroxy-(4-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridin-3-yl]oxy-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methyl]bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 139501971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).