2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide

C22H27N5O3 — CID 171784536

IUPAC2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1OCC1(CN)CC1
InChIInChI=1S/C22H27N5O3/c1-11-4-5-15(28)13(3)17(11)27-18(24)16(19(25)29)14-8-12(2)21(26-20(14)27)30-10-22(9-23)6-7-22/h4-5,8,28H,6-7,9-10,23-24H2,1-3H3,(H2,25,29)
InChIKeyWXLKPWRBIVNYMM-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.46
Rot. Bonds6

About 2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide

2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 171784536) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID171784536
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1OCC1(CN)CC1
InChIInChI=1S/C22H27N5O3/c1-11-4-5-15(28)13(3)17(11)27-18(24)16(19(25)29)14-8-12(2)21(26-20(14)27)30-10-22(9-23)6-7-22/h4-5,8,28H,6-7,9-10,23-24H2,1-3H3,(H2,25,29)
InChIKeyWXLKPWRBIVNYMM-UHFFFAOYSA-N
XLogP2.46
TPSA142.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784552
6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 171633879
2-amino-1-(4-chloro-3-fluoro-5-hydroxy-2,6-dimethylphenyl)-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784571
2-amino-5-methyl-6-[[1-(methylamino)cyclopropyl]methoxy]-1-(5-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 171784418
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869425
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5-(2-hydroxypyrrolidin-1-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 166783590
6-amino-3-(2-cyclopropylethynyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869529
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
2-amino-5-bromo-1-(3-methoxy-2,6-dimethylphenyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869365
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
2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 170638022
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-[[1-(morpholin-4-ylmethyl)cyclopropyl]methoxy]pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 171784491

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 171784536) is 2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide is Cc1cc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2nc1OCC1(CN)CC1.
What is the InChIKey of 2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is WXLKPWRBIVNYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-11-4-5-15(28)13(3)17(11)27-18(24)16(19(25)29)14-8-12(2)21(26-20(14)27)30-10-22(9-23)6-7-22/h4-5,8,28H,6-7,9-10,23-24H2,1-3H3,(H2,25,29).
What are the key properties of 2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[1-(aminomethyl)cyclopropyl]methoxy]-1-(3-hydroxy-2,6-dimethylphenyl)-5-methylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 171784536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).