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

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

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Related Compounds

3-(1,2,5,6-Tetrahydro-4-pyridyl)-5-propoxypyrrolo(3,2-b)pyridine
CID 4029677
4-(7-Methoxy-1-(Trifluoromethyl)-9h-Pyrido[3,4-B]indol-9-Yl)butan-1-Amine
CID 54613080
1-(1-Acetylpiperidin-4-yl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379543
N-butylharmine
CID 486624
3-(hexa-1,3-dienyloxy)-9H-pyrido[3,4-b]indole
CID 52945666
1,6-Dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
CID 118707965
2-methoxy-5-(2-methyl-5-phenyl-1H-pyrrol-1-yl)pyridine
CID 742245
N-Ethylharmine
CID 486623
2-(7-Methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-yl)acetonitrile
CID 9881447
2-(4-Fluorophenyl)-7-methoxy-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 9923028
5-Methoxy-3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridine
CID 10198756
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine
CID 11558912

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).