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

C29H33N5O2 — CID 71119625

IUPAC8-cyclohexyl-6-[4-(1H-indole-5-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C29H33N5O2/c1-19-17-33(12-13-34(19)29(35)22-7-8-26-21(15-22)9-11-31-26)28-24(16-30)23-10-14-36-18-25(23)27(32-28)20-5-3-2-4-6-20/h7-9,11,15,19-20,31H,2-6,10,12-14,17-18H2,1H3
InChIKeyNCWVJWFHMXALRL-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.91
Rot. Bonds3

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

8-cyclohexyl-6-[4-(1H-indole-5-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 71119625) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 8-cyclohexyl-6-[4-(1H-indole-5-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-cyclohexyl-6-[4-(1H-indole-5-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID71119625
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name8-cyclohexyl-6-[4-(1H-indole-5-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C29H33N5O2/c1-19-17-33(12-13-34(19)29(35)22-7-8-26-21(15-22)9-11-31-26)28-24(16-30)23-10-14-36-18-25(23)27(32-28)20-5-3-2-4-6-20/h7-9,11,15,19-20,31H,2-6,10,12-14,17-18H2,1H3
InChIKeyNCWVJWFHMXALRL-UHFFFAOYSA-N
XLogP4.91
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-6-[4-(1H-indole-5-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-cyclohexyl-6-[4-(1H-indole-5-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CID 71119625) is 8-cyclohexyl-6-[4-(1H-indole-5-carbonyl)-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-(1H-indole-5-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-cyclohexyl-6-[4-(1H-indole-5-carbonyl)-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)c1ccc2[nH]ccc2c1.
What is the InChIKey of 8-cyclohexyl-6-[4-(1H-indole-5-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is NCWVJWFHMXALRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-19-17-33(12-13-34(19)29(35)22-7-8-26-21(15-22)9-11-31-26)28-24(16-30)23-10-14-36-18-25(23)27(32-28)20-5-3-2-4-6-20/h7-9,11,15,19-20,31H,2-6,10,12-14,17-18H2,1H3.
What are the key properties of 8-cyclohexyl-6-[4-(1H-indole-5-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
8-cyclohexyl-6-[4-(1H-indole-5-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 483.62 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-6-[4-(1H-indole-5-carbonyl)-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71119625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).