ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine

C23H35N3O3 — CID 143014938

IUPACethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
SMILESCC.CCOC.COc1cc2[nH]cc(C)c2nc1-c1ccc(C(C)C)nc1OC
InChIInChI=1S/C18H21N3O2.C3H8O.C2H6/c1-10(2)13-7-6-12(18(20-13)23-5)17-15(22-4)8-14-16(21-17)11(3)9-19-14;1-3-4-2;1-2/h6-10,19H,1-5H3;3H2,1-2H3;1-2H3
InChIKeyKBSGBBHRSHFCQA-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.75
Rot. Bonds5

About ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine

ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 143014938) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Nameethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID143014938
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Nameethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
SMILESCC.CCOC.COc1cc2[nH]cc(C)c2nc1-c1ccc(C(C)C)nc1OC
InChIInChI=1S/C18H21N3O2.C3H8O.C2H6/c1-10(2)13-7-6-12(18(20-13)23-5)17-15(22-4)8-14-16(21-17)11(3)9-19-14;1-3-4-2;1-2/h6-10,19H,1-5H3;3H2,1-2H3;1-2H3
InChIKeyKBSGBBHRSHFCQA-UHFFFAOYSA-N
XLogP5.75
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine (CID 143014938) is ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine is CC.CCOC.COc1cc2[nH]cc(C)c2nc1-c1ccc(C(C)C)nc1OC.
What is the InChIKey of ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is KBSGBBHRSHFCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2.C3H8O.C2H6/c1-10(2)13-7-6-12(18(20-13)23-5)17-15(22-4)8-14-16(21-17)11(3)9-19-14;1-3-4-2;1-2/h6-10,19H,1-5H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine?
ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 401.55 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 143014938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).