(3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol

C30H45N3O — CID 69456122

About (3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol

(3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol (PubChem CID 69456122) has the molecular formula C30H45N3O and a molecular weight of 463.71 g/mol. Its IUPAC name is (3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol.

Molecular Properties

• Compound Name: (3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol
• PubChem CID: 69456122
• Molecular Formula: C30H45N3O
• Molecular Weight: 463.71 g/mol
• Exact Mass: 463.36
• IUPAC Name: (3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol
• SMILES: CCc1nc(C(C)C)ccc1-c1nc2c(c(CC)c1CC)c([C@H](CC)CCO)c(CC)n2CC
• InChI: InChI=1S/C30H45N3O/c1-9-20(17-18-34)27-26(13-5)33(14-6)30-28(27)21(10-2)22(11-3)29(32-30)23-15-16-25(19(7)8)31-24(23)12-4/h15-16,19-20,34H,9-14,17-18H2,1-8H3/t20-/m1/s1
• InChIKey: JOSSXBJHPYHOJR-HXUWFJFHSA-N
• XLogP: 7.37
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.71
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol?

The IUPAC name of (3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol (CID 69456122) is (3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol.

What is the SMILES notation for (3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol?

The canonical SMILES for (3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol is CCc1nc(C(C)C)ccc1-c1nc2c(c(CC)c1CC)c([C@H](CC)CCO)c(CC)n2CC.

What is the InChIKey of (3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol?

The InChIKey is JOSSXBJHPYHOJR-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H45N3O/c1-9-20(17-18-34)27-26(13-5)33(14-6)30-28(27)21(10-2)22(11-3)29(32-30)23-15-16-25(19(7)8)31-24(23)12-4/h15-16,19-20,34H,9-14,17-18H2,1-8H3/t20-/m1/s1.

What are the key properties of (3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol?

(3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol has a molecular weight of 463.71 g/mol, XLogP of 7.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[1,2,4,5-tetraethyl-6-(2-ethyl-6-propan-2-yl-3-pyridinyl)pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol is sourced from PubChem (CID 69456122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).