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

C22H31ClFN3O — CID 143015242

IUPAC6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane
SMILESCCF.CCOC.Cc1nc(C(C)C)ccc1-c1nc2c(C)c[nH]c2cc1Cl
InChIInChI=1S/C17H18ClN3.C3H8O.C2H5F/c1-9(2)14-6-5-12(11(4)20-14)17-13(18)7-15-16(21-17)10(3)8-19-15;1-3-4-2;1-2-3/h5-9,19H,1-4H3;3H2,1-2H3;2H2,1H3
InChIKeyYMJOFBOVIKZEMJ-UHFFFAOYSA-N
MW407.96 g/mol
LogP6.65
Rot. Bonds3

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

6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane (PubChem CID 143015242) has the molecular formula C22H31ClFN3O and a molecular weight of 407.96 g/mol. Its IUPAC name is 6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane.

Molecular Properties

Compound Name6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane
PubChem CID143015242
Molecular FormulaC22H31ClFN3O
Molecular Weight407.96 g/mol
Exact Mass407.21
IUPAC Name6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane
SMILESCCF.CCOC.Cc1nc(C(C)C)ccc1-c1nc2c(C)c[nH]c2cc1Cl
InChIInChI=1S/C17H18ClN3.C3H8O.C2H5F/c1-9(2)14-6-5-12(11(4)20-14)17-13(18)7-15-16(21-17)10(3)8-19-15;1-3-4-2;1-2-3/h5-9,19H,1-4H3;3H2,1-2H3;2H2,1H3
InChIKeyYMJOFBOVIKZEMJ-UHFFFAOYSA-N
XLogP6.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.96
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
CID 143014938
6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
CID 143014939
6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane
CID 143580476
6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine
CID 58702927
CID 87895810
CID 87895810
3,6-dimethyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1-(2-methylpropyl)pyrrolo[3,2-b]pyridine
CID 71157475
5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol
CID 143580486
2-(2-chloro-6-propan-2-yl-3-pyridinyl)-8-methyl-5,6-dihydro-1,5-naphthyridine-3-carbonitrile;ethane;methoxyethane
CID 143579971
7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine
CID 143015034
5-(3,6-dimethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-ethyl-N,N-dimethylpyridin-2-amine
CID 143015233
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
1-[(2,6-dichlorophenyl)methyl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 71157729

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane?
The IUPAC name of 6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane (CID 143015242) is 6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane.
What is the SMILES notation for 6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane?
The canonical SMILES for 6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane is CCF.CCOC.Cc1nc(C(C)C)ccc1-c1nc2c(C)c[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane?
The InChIKey is YMJOFBOVIKZEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3.C3H8O.C2H5F/c1-9(2)14-6-5-12(11(4)20-14)17-13(18)7-15-16(21-17)10(3)8-19-15;1-3-4-2;1-2-3/h5-9,19H,1-4H3;3H2,1-2H3;2H2,1H3.
What are the key properties of 6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane?
6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane has a molecular weight of 407.96 g/mol, XLogP of 6.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane is sourced from PubChem (CID 143015242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).