(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol

C37H44N4O2 — CID 139501708

IUPAC(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol
SMILESOC(c1c(C2CC2)ccn2cncc12)C1CC2CCC1CC2C1CC2CC(C(O)c3c(C4CC4)ccn4cncc34)C1C2
InChIInChI=1S/C37H44N4O2/c42-36(34-25(21-1-2-21)7-9-40-18-38-16-32(34)40)28-15-23-5-6-24(28)14-27(23)29-11-20-12-30(29)31(13-20)37(43)35-26(22-3-4-22)8-10-41-19-39-17-33(35)41/h7-10,16-24,27-31,36-37,42-43H,1-6,11-15H2
InChIKeyIROGMVATMHQNLE-UHFFFAOYSA-N
MW576.79 g/mol
LogP7.22
Rot. Bonds7

About (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol

(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol (PubChem CID 139501708) has the molecular formula C37H44N4O2 and a molecular weight of 576.79 g/mol. Its IUPAC name is (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol.

Molecular Properties

Compound Name(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol
PubChem CID139501708
Molecular FormulaC37H44N4O2
Molecular Weight576.79 g/mol
Exact Mass576.35
IUPAC Name(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol
SMILESOC(c1c(C2CC2)ccn2cncc12)C1CC2CCC1CC2C1CC2CC(C(O)c3c(C4CC4)ccn4cncc34)C1C2
InChIInChI=1S/C37H44N4O2/c42-36(34-25(21-1-2-21)7-9-40-18-38-16-32(34)40)28-15-23-5-6-24(28)14-27(23)29-11-20-12-30(29)31(13-20)37(43)35-26(22-3-4-22)8-10-41-19-39-17-33(35)41/h7-10,16-24,27-31,36-37,42-43H,1-6,11-15H2
InChIKeyIROGMVATMHQNLE-UHFFFAOYSA-N
XLogP7.22
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.79
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol?
The IUPAC name of (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol (CID 139501708) is (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol.
What is the SMILES notation for (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol?
The canonical SMILES for (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol is OC(c1c(C2CC2)ccn2cncc12)C1CC2CCC1CC2C1CC2CC(C(O)c3c(C4CC4)ccn4cncc34)C1C2.
What is the InChIKey of (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol?
The InChIKey is IROGMVATMHQNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44N4O2/c42-36(34-25(21-1-2-21)7-9-40-18-38-16-32(34)40)28-15-23-5-6-24(28)14-27(23)29-11-20-12-30(29)31(13-20)37(43)35-26(22-3-4-22)8-10-41-19-39-17-33(35)41/h7-10,16-24,27-31,36-37,42-43H,1-6,11-15H2.
What are the key properties of (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol?
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol has a molecular weight of 576.79 g/mol, XLogP of 7.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[5-[6-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]-2-bicyclo[2.2.1]heptanyl]-2-bicyclo[2.2.2]octanyl]methanol is sourced from PubChem (CID 139501708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).