ethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate

C26H32N4O5 — CID 90295200

IUPACethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate
SMILESCCOC(=O)[C@H]1CN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)c1ccoc1
InChIInChI=1S/C26H32N4O5/c1-6-34-25(32)21-13-29(8-9-30(21)24(31)17-7-10-33-14-17)23-19(12-27)18-11-26(4,5)35-15-20(18)22(28-23)16(2)3/h7,10,14,16,21H,6,8-9,11,13,15H2,1-5H3/t21-/m1/s1
InChIKeySFNAXYZMNWMVSL-OAQYLSRUSA-N
MW480.57 g/mol
LogP3.42
Rot. Bonds5

About ethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate

ethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate (PubChem CID 90295200) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is ethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate
PubChem CID90295200
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Nameethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate
SMILESCCOC(=O)[C@H]1CN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)c1ccoc1
InChIInChI=1S/C26H32N4O5/c1-6-34-25(32)21-13-29(8-9-30(21)24(31)17-7-10-33-14-17)23-19(12-27)18-11-26(4,5)35-15-20(18)22(28-23)16(2)3/h7,10,14,16,21H,6,8-9,11,13,15H2,1-5H3/t21-/m1/s1
InChIKeySFNAXYZMNWMVSL-OAQYLSRUSA-N
XLogP3.42
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate 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 ethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate?
The IUPAC name of ethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate (CID 90295200) is ethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate?
The canonical SMILES for ethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate is CCOC(=O)[C@H]1CN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)c1ccoc1.
What is the InChIKey of ethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate?
The InChIKey is SFNAXYZMNWMVSL-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-6-34-25(32)21-13-29(8-9-30(21)24(31)17-7-10-33-14-17)23-19(12-27)18-11-26(4,5)35-15-20(18)22(28-23)16(2)3/h7,10,14,16,21H,6,8-9,11,13,15H2,1-5H3/t21-/m1/s1.
What are the key properties of ethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate?
ethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate has a molecular weight of 480.57 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-(furan-3-carbonyl)piperazine-2-carboxylate is sourced from PubChem (CID 90295200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).