5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine

C22H28ClFN4O — CID 11475620

IUPAC5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
SMILESCNc1nc(C(C)C)c(Cl)cc1-c1nc2c(C)cn(C(CF)COC)c2cc1C
InChIInChI=1S/C22H28ClFN4O/c1-12(2)19-17(23)8-16(22(25-5)27-19)20-13(3)7-18-21(26-20)14(4)10-28(18)15(9-24)11-29-6/h7-8,10,12,15H,9,11H2,1-6H3,(H,25,27)
InChIKeySDEINDYKOHDZSF-UHFFFAOYSA-N
MW418.94 g/mol
LogP5.69
Rot. Bonds7

About 5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine

5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine (PubChem CID 11475620) has the molecular formula C22H28ClFN4O and a molecular weight of 418.94 g/mol. Its IUPAC name is 5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
PubChem CID11475620
Molecular FormulaC22H28ClFN4O
Molecular Weight418.94 g/mol
Exact Mass418.19
IUPAC Name5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
SMILESCNc1nc(C(C)C)c(Cl)cc1-c1nc2c(C)cn(C(CF)COC)c2cc1C
InChIInChI=1S/C22H28ClFN4O/c1-12(2)19-17(23)8-16(22(25-5)27-19)20-13(3)7-18-21(26-20)14(4)10-28(18)15(9-24)11-29-6/h7-8,10,12,15H,9,11H2,1-6H3,(H,25,27)
InChIKeySDEINDYKOHDZSF-UHFFFAOYSA-N
XLogP5.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.94
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 58702905
3-[1-(1-methoxybutan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 69447678
3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 58703019
[3-[1-[(2R)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69454232
CID 87895810
CID 87895810
3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine
CID 24788716
(2S)-3-methoxy-2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol
CID 58702864
3-[6-ethyl-1-[(2S)-1-methoxypropan-2-yl]-3-methylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 58702767
1-[(2S)-1-methoxybutan-2-yl]-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 58703226
[3-[1-[(2S)-1-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-6-propan-2-yl-2-pyridinyl]methanamine
CID 69461238
6-chloro-5-(2-ethyl-6-propan-2-yl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrrolo[3,2-b]pyridine
CID 58702927
2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol
CID 69453954

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine (CID 11475620) is 5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine is CNc1nc(C(C)C)c(Cl)cc1-c1nc2c(C)cn(C(CF)COC)c2cc1C.
What is the InChIKey of 5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine?
The InChIKey is SDEINDYKOHDZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClFN4O/c1-12(2)19-17(23)8-16(22(25-5)27-19)20-13(3)7-18-21(26-20)14(4)10-28(18)15(9-24)11-29-6/h7-8,10,12,15H,9,11H2,1-6H3,(H,25,27).
What are the key properties of 5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine?
5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine has a molecular weight of 418.94 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[1-(1-fluoro-3-methoxypropan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 11475620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).