6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine

C22H28FN3O — CID 58702743

IUPAC6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine
SMILESCCc1cc2c(nc1-c1ccc(C(C)C)nc1OC)c(C)cn2[C@H](C)CF
InChIInChI=1S/C22H28FN3O/c1-7-16-10-19-20(14(4)12-26(19)15(5)11-23)25-21(16)17-8-9-18(13(2)3)24-22(17)27-6/h8-10,12-13,15H,7,11H2,1-6H3/t15-/m1/s1
InChIKeyMENXTJMADXVCGW-OAHLLOKOSA-N
MW369.48 g/mol
LogP5.63
Rot. Bonds6

About 6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine

6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine (PubChem CID 58702743) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine
PubChem CID58702743
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine
SMILESCCc1cc2c(nc1-c1ccc(C(C)C)nc1OC)c(C)cn2[C@H](C)CF
InChIInChI=1S/C22H28FN3O/c1-7-16-10-19-20(14(4)12-26(19)15(5)11-23)25-21(16)17-8-9-18(13(2)3)24-22(17)27-6/h8-10,12-13,15H,7,11H2,1-6H3/t15-/m1/s1
InChIKeyMENXTJMADXVCGW-OAHLLOKOSA-N
XLogP5.63
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.48
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine?
The IUPAC name of 6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine (CID 58702743) is 6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine is CCc1cc2c(nc1-c1ccc(C(C)C)nc1OC)c(C)cn2[C@H](C)CF.
What is the InChIKey of 6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine?
The InChIKey is MENXTJMADXVCGW-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-7-16-10-19-20(14(4)12-26(19)15(5)11-23)25-21(16)17-8-9-18(13(2)3)24-22(17)27-6/h8-10,12-13,15H,7,11H2,1-6H3/t15-/m1/s1.
What are the key properties of 6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine?
6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine has a molecular weight of 369.48 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 58702743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).