1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine

C18H20F2N4 — CID 162002734

IUPAC1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCc1cc(C)c(Nc2nccc3c2ccn3CC(C)(F)F)c(C)n1
InChIInChI=1S/C18H20F2N4/c1-11-9-12(2)22-13(3)16(11)23-17-14-6-8-24(10-18(4,19)20)15(14)5-7-21-17/h5-9H,10H2,1-4H3,(H,21,23)
InChIKeyYSKUCYWAEWZZIR-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.76
Rot. Bonds4

About 1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine

1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 162002734) has the molecular formula C18H20F2N4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine
PubChem CID162002734
Molecular FormulaC18H20F2N4
Molecular Weight330.38 g/mol
Exact Mass330.17
IUPAC Name1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCc1cc(C)c(Nc2nccc3c2ccn3CC(C)(F)F)c(C)n1
InChIInChI=1S/C18H20F2N4/c1-11-9-12(2)22-13(3)16(11)23-17-14-6-8-24(10-18(4,19)20)15(14)5-7-21-17/h5-9H,10H2,1-4H3,(H,21,23)
InChIKeyYSKUCYWAEWZZIR-UHFFFAOYSA-N
XLogP4.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine with MolForge

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Related Compounds

N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162464315
N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288620
2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 146283885
N-(2,4-dimethyl-3-pyridinyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288653
4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide
CID 146288647
2-[4-(2,4-difluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376780
N-(2,4-difluoro-6-methylphenyl)-1-(2,2-difluoropropyl)imidazo[4,5-c]pyridin-4-amine
CID 156521786
(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,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide
CID 146283914
2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376821
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine (CID 162002734) is 1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine is Cc1cc(C)c(Nc2nccc3c2ccn3CC(C)(F)F)c(C)n1.
What is the InChIKey of 1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is YSKUCYWAEWZZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4/c1-11-9-12(2)22-13(3)16(11)23-17-14-6-8-24(10-18(4,19)20)15(14)5-7-21-17/h5-9H,10H2,1-4H3,(H,21,23).
What are the key properties of 1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine?
1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 330.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 162002734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).