[1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine

C13H15N5 — CID 66416482

IUPAC[1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESCn1ccnc1Cn1cc(CN)c2cccnc21
InChIInChI=1S/C13H15N5/c1-17-6-5-15-12(17)9-18-8-10(7-14)11-3-2-4-16-13(11)18/h2-6,8H,7,9,14H2,1H3
InChIKeyQWZMFZGWDHHBGC-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.28
Rot. Bonds3

About [1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine

[1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine (PubChem CID 66416482) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is [1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
PubChem CID66416482
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name[1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESCn1ccnc1Cn1cc(CN)c2cccnc21
InChIInChI=1S/C13H15N5/c1-17-6-5-15-12(17)9-18-8-10(7-14)11-3-2-4-16-13(11)18/h2-6,8H,7,9,14H2,1H3
InChIKeyQWZMFZGWDHHBGC-UHFFFAOYSA-N
XLogP1.28
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66414119
[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416663
[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66413936
(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66415692
[1-(thiophen-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66414124
[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66414725
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416272
[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416677
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66415310
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 102617098
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide
CID 66414520
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 66414126

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The IUPAC name of [1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine (CID 66416482) is [1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine.
What is the SMILES notation for [1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The canonical SMILES for [1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine is Cn1ccnc1Cn1cc(CN)c2cccnc21.
What is the InChIKey of [1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The InChIKey is QWZMFZGWDHHBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-17-6-5-15-12(17)9-18-8-10(7-14)11-3-2-4-16-13(11)18/h2-6,8H,7,9,14H2,1H3.
What are the key properties of [1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine?
[1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine has a molecular weight of 241.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine is sourced from PubChem (CID 66416482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).