5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile

C21H24N6 — CID 133360044

IUPAC5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCC(c3c[nH]c4ncccc34)CC2)c(C#N)c1CC
InChIInChI=1S/C21H24N6/c1-3-15-17(12-22)21(26-25-19(15)4-2)27-10-7-14(8-11-27)18-13-24-20-16(18)6-5-9-23-20/h5-6,9,13-14H,3-4,7-8,10-11H2,1-2H3,(H,23,24)
InChIKeyAAZHPVYWVKISAD-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.73
Rot. Bonds4

About 5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile

5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile (PubChem CID 133360044) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
PubChem CID133360044
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCC(c3c[nH]c4ncccc34)CC2)c(C#N)c1CC
InChIInChI=1S/C21H24N6/c1-3-15-17(12-22)21(26-25-19(15)4-2)27-10-7-14(8-11-27)18-13-24-20-16(18)6-5-9-23-20/h5-6,9,13-14H,3-4,7-8,10-11H2,1-2H3,(H,23,24)
InChIKeyAAZHPVYWVKISAD-UHFFFAOYSA-N
XLogP3.73
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133283992
5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 99778820
5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 133360812
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine
CID 121426655
N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 155946909
6-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methyl]pyridine-3-carbonitrile
CID 146093163
1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 133360980
3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 106669370
N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide
CID 133373932
2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 134036774
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
CID 136516251
3-[4-(azepane-1-carbonyl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373131

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile (CID 133360044) is 5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile is CCc1nnc(N2CCC(c3c[nH]c4ncccc34)CC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is AAZHPVYWVKISAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-3-15-17(12-22)21(26-25-19(15)4-2)27-10-7-14(8-11-27)18-13-24-20-16(18)6-5-9-23-20/h5-6,9,13-14H,3-4,7-8,10-11H2,1-2H3,(H,23,24).
What are the key properties of 5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 360.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133360044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).