6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile

C18H26N4O — CID 171987526

IUPAC6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile
SMILESCC(C)c1c(C#N)c(N2CCNCC2)nc2c1CC(C)(C)OC2
InChIInChI=1S/C18H26N4O/c1-12(2)16-13-9-18(3,4)23-11-15(13)21-17(14(16)10-19)22-7-5-20-6-8-22/h12,20H,5-9,11H2,1-4H3
InChIKeyKRXPBZYAHPNFBS-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.34
Rot. Bonds2

About 6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile

6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile (PubChem CID 171987526) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile
PubChem CID171987526
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile
SMILESCC(C)c1c(C#N)c(N2CCNCC2)nc2c1CC(C)(C)OC2
InChIInChI=1S/C18H26N4O/c1-12(2)16-13-9-18(3,4)23-11-15(13)21-17(14(16)10-19)22-7-5-20-6-8-22/h12,20H,5-9,11H2,1-4H3
InChIKeyKRXPBZYAHPNFBS-UHFFFAOYSA-N
XLogP2.34
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile 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

3,3-dimethyl-6-methylsulfanyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 658791
6-(4-acetylpiperazin-1-yl)-3,3,8-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 910170
3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 752329
ethyl (2R)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate
CID 1205092
7,7-dimethyl-4-(2-methylpropyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 23800095
3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 7358488
2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 23855171
6,6-dimethyl-9-morpholin-4-yl-15-piperazin-1-yl-5-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12,14-hexaene
CID 56694726
N-[4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioyl]benzamide
CID 3516870
6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-(2-methylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 3780172
2-[4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazin-1-yl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 29105278
8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 123139717

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile (CID 171987526) is 6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile is CC(C)c1c(C#N)c(N2CCNCC2)nc2c1CC(C)(C)OC2.
What is the InChIKey of 6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile?
The InChIKey is KRXPBZYAHPNFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-12(2)16-13-9-18(3,4)23-11-15(13)21-17(14(16)10-19)22-7-5-20-6-8-22/h12,20H,5-9,11H2,1-4H3.
What are the key properties of 6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile?
6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile has a molecular weight of 314.43 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 171987526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).