6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C23H28N4O3 — CID 1051589

IUPAC6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C23H28N4O3/c1-15(2)20-18-14-30-23(3,4)12-16(18)17(13-24)21(25-20)26-7-9-27(10-8-26)22(28)19-6-5-11-29-19/h5-6,11,15H,7-10,12,14H2,1-4H3
InChIKeyWPQGUHNRZGOCOH-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.48
Rot. Bonds3

About 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 1051589) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID1051589
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C23H28N4O3/c1-15(2)20-18-14-30-23(3,4)12-16(18)17(13-24)21(25-20)26-7-9-27(10-8-26)22(28)19-6-5-11-29-19/h5-6,11,15H,7-10,12,14H2,1-4H3
InChIKeyWPQGUHNRZGOCOH-UHFFFAOYSA-N
XLogP3.48
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 1051589) is 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is WPQGUHNRZGOCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15(2)20-18-14-30-23(3,4)12-16(18)17(13-24)21(25-20)26-7-9-27(10-8-26)22(28)19-6-5-11-29-19/h5-6,11,15H,7-10,12,14H2,1-4H3.
What are the key properties of 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 408.50 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(furan-2-carbonyl)piperazin-1-yl]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 1051589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).