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

C18H21FN4 — CID 162464315

IUPACN-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCCC(F)Cn1ccc2c(Nc3c(C)ccnc3C)nccc21
InChIInChI=1S/C18H21FN4/c1-4-14(19)11-23-10-7-15-16(23)6-9-21-18(15)22-17-12(2)5-8-20-13(17)3/h5-10,14H,4,11H2,1-3H3,(H,21,22)
InChIKeySAODYERSHZZPEE-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.54
Rot. Bonds5

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

N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 162464315) has the molecular formula C18H21FN4 and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine
PubChem CID162464315
Molecular FormulaC18H21FN4
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC NameN-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCCC(F)Cn1ccc2c(Nc3c(C)ccnc3C)nccc21
InChIInChI=1S/C18H21FN4/c1-4-14(19)11-23-10-7-15-16(23)6-9-21-18(15)22-17-12(2)5-8-20-13(17)3/h5-10,14H,4,11H2,1-3H3,(H,21,22)
InChIKeySAODYERSHZZPEE-UHFFFAOYSA-N
XLogP4.54
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)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-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288653
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol
CID 146288476
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;(2S)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;methane
CID 158234871
N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288620
N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288432
cobalt;[1-hydroxy-2-[4-[[2-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]ethyl]-methylazanide
CID 153376810
1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162002734
3-chloro-4-[[1-[(2R)-2-hydroxybutyl]pyrrolo[3,2-c]pyridin-4-yl]amino]-5-methylbenzonitrile;3-chloro-4-[[1-[(2S)-2-hydroxybutyl]pyrrolo[3,2-c]pyridin-4-yl]amino]-5-methylbenzonitrile;methane
CID 158948723
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
4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide
CID 146288647

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine (CID 162464315) is N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine is CCC(F)Cn1ccc2c(Nc3c(C)ccnc3C)nccc21.
What is the InChIKey of N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is SAODYERSHZZPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4/c1-4-14(19)11-23-10-7-15-16(23)6-9-21-18(15)22-17-12(2)5-8-20-13(17)3/h5-10,14H,4,11H2,1-3H3,(H,21,22).
What are the key properties of N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine?
N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 312.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 162464315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).