N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine

C18H20N4O — CID 146288620

IUPACN-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCc1ccnc(C)c1Nc1nccc2c1ccn2CC1CCO1
InChIInChI=1S/C18H20N4O/c1-12-3-7-19-13(2)17(12)21-18-15-5-9-22(11-14-6-10-23-14)16(15)4-8-20-18/h3-5,7-9,14H,6,10-11H2,1-2H3,(H,20,21)
InChIKeyGBHOWGKKDWFQIA-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.58
Rot. Bonds4

About N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine

N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 146288620) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
PubChem CID146288620
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCc1ccnc(C)c1Nc1nccc2c1ccn2CC1CCO1
InChIInChI=1S/C18H20N4O/c1-12-3-7-19-13(2)17(12)21-18-15-5-9-22(11-14-6-10-23-14)16(15)4-8-20-18/h3-5,7-9,14H,6,10-11H2,1-2H3,(H,20,21)
InChIKeyGBHOWGKKDWFQIA-UHFFFAOYSA-N
XLogP3.58
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine 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

N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162464315
4-bromo-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridine;ethane;thiohypoiodous acid
CID 153376848
N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288454
2-[4-(2,4-difluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376780
4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide
CID 146288647
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol
CID 146288476
N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane
CID 153376876
2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376821
N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine
CID 146288452
2-[4-[(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)amino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 146283900
1-butyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288668
2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 146283885

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine (CID 146288620) is N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine is Cc1ccnc(C)c1Nc1nccc2c1ccn2CC1CCO1.
What is the InChIKey of N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is GBHOWGKKDWFQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-3-7-19-13(2)17(12)21-18-15-5-9-22(11-14-6-10-23-14)16(15)4-8-20-18/h3-5,7-9,14H,6,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine?
N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 146288620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).