6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine

C22H28ClN3O — CID 58702927

IUPAC6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine
SMILESCCc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)COC)c2cc1Cl
InChIInChI=1S/C22H28ClN3O/c1-7-18-16(8-9-19(24-18)13(2)3)22-17(23)10-20-21(25-22)14(4)11-26(20)15(5)12-27-6/h8-11,13,15H,7,12H2,1-6H3
InChIKeyLOYSZMCHLFVUPX-UHFFFAOYSA-N
MW385.94 g/mol
LogP5.95
Rot. Bonds6

About 6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine

6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine (PubChem CID 58702927) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine
PubChem CID58702927
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine
SMILESCCc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)COC)c2cc1Cl
InChIInChI=1S/C22H28ClN3O/c1-7-18-16(8-9-19(24-18)13(2)3)22-17(23)10-20-21(25-22)14(4)11-26(20)15(5)12-27-6/h8-11,13,15H,7,12H2,1-6H3
InChIKeyLOYSZMCHLFVUPX-UHFFFAOYSA-N
XLogP5.95
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.94
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine?
The IUPAC name of 6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine (CID 58702927) is 6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine is CCc1nc(C(C)C)ccc1-c1nc2c(C)cn(C(C)COC)c2cc1Cl.
What is the InChIKey of 6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine?
The InChIKey is LOYSZMCHLFVUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-7-18-16(8-9-19(24-18)13(2)3)22-17(23)10-20-21(25-22)14(4)11-26(20)15(5)12-27-6/h8-11,13,15H,7,12H2,1-6H3.
What are the key properties of 6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine?
6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine has a molecular weight of 385.94 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 58702927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).