8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

C24H32N4O2 — CID 90283717

IUPAC8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)C1CC1
InChIInChI=1S/C24H32N4O2/c1-16-14-27(10-11-28(16)24(29)18-7-8-18)23-20(13-25)19-9-12-30-15-21(19)22(26-23)17-5-3-2-4-6-17/h16-18H,2-12,14-15H2,1H3
InChIKeyRDMDIJNODCWAFT-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.52
Rot. Bonds3

About 8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 90283717) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID90283717
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)C1CC1
InChIInChI=1S/C24H32N4O2/c1-16-14-27(10-11-28(16)24(29)18-7-8-18)23-20(13-25)19-9-12-30-15-21(19)22(26-23)17-5-3-2-4-6-17/h16-18H,2-12,14-15H2,1H3
InChIKeyRDMDIJNODCWAFT-UHFFFAOYSA-N
XLogP3.52
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CID 90283717) is 8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is CC1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)C1CC1.
What is the InChIKey of 8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is RDMDIJNODCWAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-16-14-27(10-11-28(16)24(29)18-7-8-18)23-20(13-25)19-9-12-30-15-21(19)22(26-23)17-5-3-2-4-6-17/h16-18H,2-12,14-15H2,1H3.
What are the key properties of 8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 408.55 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-6-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 90283717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).