[1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine

C13H13N3S — CID 66414124

IUPAC[1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESNCc1cn(Cc2cccs2)c2ncccc12
InChIInChI=1S/C13H13N3S/c14-7-10-8-16(9-11-3-2-6-17-11)13-12(10)4-1-5-15-13/h1-6,8H,7,9,14H2
InChIKeyHQDBXMUMBGEQIG-UHFFFAOYSA-N
MW243.34 g/mol
LogP2.60
Rot. Bonds3

About [1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine

[1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine (PubChem CID 66414124) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is [1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
PubChem CID66414124
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name[1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESNCc1cn(Cc2cccs2)c2ncccc12
InChIInChI=1S/C13H13N3S/c14-7-10-8-16(9-11-3-2-6-17-11)13-12(10)4-1-5-15-13/h1-6,8H,7,9,14H2
InChIKeyHQDBXMUMBGEQIG-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416677
(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66414119
[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66413936
[1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416482
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66415310
[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416663
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416272
(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66415692
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 102617098
[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66414725
[1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66415489
2-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 104811080

Frequently Asked Questions

What is the IUPAC name of [1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The IUPAC name of [1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine (CID 66414124) is [1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine.
What is the SMILES notation for [1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The canonical SMILES for [1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine is NCc1cn(Cc2cccs2)c2ncccc12.
What is the InChIKey of [1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The InChIKey is HQDBXMUMBGEQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c14-7-10-8-16(9-11-3-2-6-17-11)13-12(10)4-1-5-15-13/h1-6,8H,7,9,14H2.
What are the key properties of [1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
[1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine has a molecular weight of 243.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine is sourced from PubChem (CID 66414124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).