(1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one

C10H11N3O — CID 97056961

IUPAC(1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one
SMILESCC(=O)[C@@H](N)c1cnc2cc[nH]c2c1
InChIInChI=1S/C10H11N3O/c1-6(14)10(11)7-4-9-8(13-5-7)2-3-12-9/h2-5,10,12H,11H2,1H3/t10-/m1/s1
InChIKeyGAOHWKROERSDER-SNVBAGLBSA-N
MW189.22 g/mol
LogP1.15
Rot. Bonds2

About (1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one

(1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one (PubChem CID 97056961) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one.

Molecular Properties

Compound Name(1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one
PubChem CID97056961
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one
SMILESCC(=O)[C@@H](N)c1cnc2cc[nH]c2c1
InChIInChI=1S/C10H11N3O/c1-6(14)10(11)7-4-9-8(13-5-7)2-3-12-9/h2-5,10,12H,11H2,1H3/t10-/m1/s1
InChIKeyGAOHWKROERSDER-SNVBAGLBSA-N
XLogP1.15
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine
CID 97056959
3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine
CID 84771242
2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol
CID 76847430
3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170828191
3,4-dihydroxy-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)butanoic acid
CID 171877833
4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol
CID 171881415
N-methoxy-N-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
CID 76847424
3-azido-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170826180
N-[5-(1H-pyrrolo[3,2-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]acetamide
CID 44623179
1-amino-1-(1H-indol-4-yl)propan-2-one
CID 55270275
ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane
CID 142447462
ethyl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)but-3-ynoate
CID 170471391

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one?
The IUPAC name of (1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one (CID 97056961) is (1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one.
What is the SMILES notation for (1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one?
The canonical SMILES for (1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one is CC(=O)[C@@H](N)c1cnc2cc[nH]c2c1.
What is the InChIKey of (1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one?
The InChIKey is GAOHWKROERSDER-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6(14)10(11)7-4-9-8(13-5-7)2-3-12-9/h2-5,10,12H,11H2,1H3/t10-/m1/s1.
What are the key properties of (1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one?
(1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one has a molecular weight of 189.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one is sourced from PubChem (CID 97056961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).