2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide

C23H29N5O3 — CID 171784552

IUPAC2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2ccc(OCC3(CN(C)C)CC3)nc21
InChIInChI=1S/C23H29N5O3/c1-13-5-7-16(29)14(2)19(13)28-20(24)18(21(25)30)15-6-8-17(26-22(15)28)31-12-23(9-10-23)11-27(3)4/h5-8,29H,9-12,24H2,1-4H3,(H2,25,30)
InChIKeyDBUUJRQZGLBSNB-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.75
Rot. Bonds7

About 2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide

2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 171784552) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID171784552
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2ccc(OCC3(CN(C)C)CC3)nc21
InChIInChI=1S/C23H29N5O3/c1-13-5-7-16(29)14(2)19(13)28-20(24)18(21(25)30)15-6-8-17(26-22(15)28)31-12-23(9-10-23)11-27(3)4/h5-8,29H,9-12,24H2,1-4H3,(H2,25,30)
InChIKeyDBUUJRQZGLBSNB-UHFFFAOYSA-N
XLogP2.75
TPSA119.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784536
6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 171633879
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 171784491
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869425
5-amino-4-(3-hydroxy-2,6-dimethylphenyl)-2,4,8,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7,10,12-hexaene-6-carboxamide
CID 168731077
11-amino-10-(3-hydroxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide
CID 169238429
6-amino-3-(2-cyclopropylethynyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869529
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 166783590
2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 170638022
11-amino-12-(3-hydroxy-2,6-dimethylphenyl)-8-methoxy-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide
CID 178111080
potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide
CID 178110771
2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869365

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 171784552) is 2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2ccc(OCC3(CN(C)C)CC3)nc21.
What is the InChIKey of 2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is DBUUJRQZGLBSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-13-5-7-16(29)14(2)19(13)28-20(24)18(21(25)30)15-6-8-17(26-22(15)28)31-12-23(9-10-23)11-27(3)4/h5-8,29H,9-12,24H2,1-4H3,(H2,25,30).
What are the key properties of 2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide?
2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 171784552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).