ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate

C26H30N4O5 — CID 90282847

IUPACethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CN(c2nc(-c3ccccc3)c3c(c2C#N)CCOC3)CCN1C(=O)CCOC
InChIInChI=1S/C26H30N4O5/c1-3-35-26(32)22-16-29(11-12-30(22)23(31)10-13-33-2)25-20(15-27)19-9-14-34-17-21(19)24(28-25)18-7-5-4-6-8-18/h4-8,22H,3,9-14,16-17H2,1-2H3
InChIKeyUVOGWRLEBSCZCC-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.31
Rot. Bonds7

About ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate

ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate (PubChem CID 90282847) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate
PubChem CID90282847
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC Nameethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CN(c2nc(-c3ccccc3)c3c(c2C#N)CCOC3)CCN1C(=O)CCOC
InChIInChI=1S/C26H30N4O5/c1-3-35-26(32)22-16-29(11-12-30(22)23(31)10-13-33-2)25-20(15-27)19-9-14-34-17-21(19)24(28-25)18-7-5-4-6-8-18/h4-8,22H,3,9-14,16-17H2,1-2H3
InChIKeyUVOGWRLEBSCZCC-UHFFFAOYSA-N
XLogP2.31
TPSA104.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

6-[3-methyl-4-(5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 90282780
7-acetyl-1-cyclopropyl-3-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 71118713
8-cyclohexyl-6-[(3R)-4-[2-(3-methoxyphenyl)acetyl]-3-methylpiperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 71119445
6-cyclopropyl-5-(3-ethylphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 135292165
3-[(3R)-3-(cyclopropen-1-yl)-4-(3-methoxypropanoyl)piperazin-1-yl]-1-cyclopropyl-7-(2-hydroxyethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 130273154
8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 90283286
2-[4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)piperazin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 29104954
1-cyclopropyl-3-[3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-7-prop-2-enoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 89288159
6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-5-(3-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 71119229
8-cyclopropyl-6-[(3R)-3-cyclopropyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71119107
4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide
CID 71119202
(2R)-4-(5-cyano-8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-ethyl-2-methylpiperazine-1-carboxamide
CID 71119197

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate?
The IUPAC name of ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate (CID 90282847) is ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate?
The canonical SMILES for ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate is CCOC(=O)C1CN(c2nc(-c3ccccc3)c3c(c2C#N)CCOC3)CCN1C(=O)CCOC.
What is the InChIKey of ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate?
The InChIKey is UVOGWRLEBSCZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-3-35-26(32)22-16-29(11-12-30(22)23(31)10-13-33-2)25-20(15-27)19-9-14-34-17-21(19)24(28-25)18-7-5-4-6-8-18/h4-8,22H,3,9-14,16-17H2,1-2H3.
What are the key properties of ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate?
ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate has a molecular weight of 478.55 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-cyano-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-1-(3-methoxypropanoyl)piperazine-2-carboxylate is sourced from PubChem (CID 90282847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).