3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile

C23H32N8 — CID 146645967

IUPAC3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile
SMILESCCC1CC(Nc2nc(Nc3cc(C)[nH]n3)cc3[nH]ccc23)CC(CC)N1CCC#N
InChIInChI=1S/C23H32N8/c1-4-17-12-16(13-18(5-2)31(17)10-6-8-24)26-23-19-7-9-25-20(19)14-21(28-23)27-22-11-15(3)29-30-22/h7,9,11,14,16-18,25H,4-6,10,12-13H2,1-3H3,(H3,26,27,28,29,30)
InChIKeyMSXBIGGAZQNVPF-UHFFFAOYSA-N
MW420.57 g/mol
LogP4.69
Rot. Bonds8

About 3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile

3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile (PubChem CID 146645967) has the molecular formula C23H32N8 and a molecular weight of 420.57 g/mol. Its IUPAC name is 3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile
PubChem CID146645967
Molecular FormulaC23H32N8
Molecular Weight420.57 g/mol
Exact Mass420.27
IUPAC Name3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile
SMILESCCC1CC(Nc2nc(Nc3cc(C)[nH]n3)cc3[nH]ccc23)CC(CC)N1CCC#N
InChIInChI=1S/C23H32N8/c1-4-17-12-16(13-18(5-2)31(17)10-6-8-24)26-23-19-7-9-25-20(19)14-21(28-23)27-22-11-15(3)29-30-22/h7,9,11,14,16-18,25H,4-6,10,12-13H2,1-3H3,(H3,26,27,28,29,30)
InChIKeyMSXBIGGAZQNVPF-UHFFFAOYSA-N
XLogP4.69
TPSA108.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.57
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile with MolForge

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Related Compounds

3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
CID 146645979
3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
CID 146645966
3-[2,6-diethyl-4-[[7-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]piperidin-1-yl]propanenitrile
CID 166773948
3-[(5S)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-imidazo[4,5-c]pyridin-6-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 166773924
3-[2,6-diethyl-4-[[7-(2-methoxyethoxy)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]piperidin-1-yl]propanenitrile
CID 146645723
3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
CID 146645809
3-[3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxomethylidene)-1H-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 176531444
3-[(1R,5S)-3-[[7-[(5-ethyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645173
3-[3-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]azetidin-1-yl]propanenitrile
CID 146645218
3-[(1S,5R)-3-[[8-methoxy-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]propanenitrile
CID 146645169
3-[2,6-diethyl-4-[3-[(5-methyl-1H-pyrazol-3-yl)amino]quinoxalin-5-yl]piperazin-1-yl]propanenitrile
CID 146645303
3-[(1S,5R)-3-[[4-hydrazinyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 166773713

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile (CID 146645967) is 3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile is CCC1CC(Nc2nc(Nc3cc(C)[nH]n3)cc3[nH]ccc23)CC(CC)N1CCC#N.
What is the InChIKey of 3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile?
The InChIKey is MSXBIGGAZQNVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8/c1-4-17-12-16(13-18(5-2)31(17)10-6-8-24)26-23-19-7-9-25-20(19)14-21(28-23)27-22-11-15(3)29-30-22/h7,9,11,14,16-18,25H,4-6,10,12-13H2,1-3H3,(H3,26,27,28,29,30).
What are the key properties of 3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile?
3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile has a molecular weight of 420.57 g/mol, XLogP of 4.69, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-diethyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile is sourced from PubChem (CID 146645967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).