1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine

C14H19N5O2S — CID 163275230

IUPAC1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine
SMILESCn1ccc2nccc(N3CC4(CC(NS(N)(=O)=O)C4)C3)c21
InChIInChI=1S/C14H19N5O2S/c1-18-5-3-11-13(18)12(2-4-16-11)19-8-14(9-19)6-10(7-14)17-22(15,20)21/h2-5,10,17H,6-9H2,1H3,(H2,15,20,21)
InChIKeyBLIAJQLLQTVSRC-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.34
Rot. Bonds3

About 1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine

1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine (PubChem CID 163275230) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine
PubChem CID163275230
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine
SMILESCn1ccc2nccc(N3CC4(CC(NS(N)(=O)=O)C4)C3)c21
InChIInChI=1S/C14H19N5O2S/c1-18-5-3-11-13(18)12(2-4-16-11)19-8-14(9-19)6-10(7-14)17-22(15,20)21/h2-5,10,17H,6-9H2,1H3,(H2,15,20,21)
InChIKeyBLIAJQLLQTVSRC-UHFFFAOYSA-N
XLogP0.34
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

(3S,4R)-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)-1-methylsulfonylpyrrolidin-3-amine
CID 92566888
1-(3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl)-1H-pyrrolo[3,2-b]pyridine
CID 167313236
(3S,4R)-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 127021179
1-(6-(3,3-Difluoroazetidin-1-yl)-1-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethanamine
CID 86708008
2-(1-Methylpyrrolo[3,2-b]pyridin-3-yl)ethanamine
CID 82598945
3-(1H-pyrrolo[3,2-b]pyridin-1-yl)bicyclo[1.1.1]pentane-1-carbonitrile
CID 167313165
1,4-Di(propan-2-yl)pyrrolo[3,2-b]pyridin-4-ium
CID 58373937
(2S)-1-pyrrolo[3,2-b]pyridin-1-ylpropan-2-amine
CID 58970159
1-(Azetidin-3-yl)pyrrolo[3,2-b]pyridine
CID 58970177
2-Pyrrolo[3,2-b]pyridin-1-ylethanamine
CID 58970178
1-(1-Methylazetidin-3-yl)pyrrolo[3,2-b]pyridine
CID 58970198
N-methyl-2-pyrrolo[3,2-b]pyridin-1-ylethanamine
CID 58970231

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine (CID 163275230) is 1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine is Cn1ccc2nccc(N3CC4(CC(NS(N)(=O)=O)C4)C3)c21.
What is the InChIKey of 1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine?
The InChIKey is BLIAJQLLQTVSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-18-5-3-11-13(18)12(2-4-16-11)19-8-14(9-19)6-10(7-14)17-22(15,20)21/h2-5,10,17H,6-9H2,1H3,(H2,15,20,21).
What are the key properties of 1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine?
1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine has a molecular weight of 321.41 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[6-(sulfamoylamino)-2-azaspiro[3.3]heptan-2-yl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 163275230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).