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

C25H32N4O3 — CID 90282908

IUPAC3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1occc1C(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)C[C@H]1C
InChIInChI=1S/C25H32N4O3/c1-15(2)22-21-14-32-25(5,6)11-19(21)20(12-26)23(27-22)28-8-9-29(16(3)13-28)24(30)18-7-10-31-17(18)4/h7,10,15-16H,8-9,11,13-14H2,1-6H3/t16-/m1/s1
InChIKeyIXGHEAIYDLBSEI-MRXNPFEDSA-N
MW436.56 g/mol
LogP4.18
Rot. Bonds3

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

3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 90282908) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID90282908
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1occc1C(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)C[C@H]1C
InChIInChI=1S/C25H32N4O3/c1-15(2)22-21-14-32-25(5,6)11-19(21)20(12-26)23(27-22)28-8-9-29(16(3)13-28)24(30)18-7-10-31-17(18)4/h7,10,15-16H,8-9,11,13-14H2,1-6H3/t16-/m1/s1
InChIKeyIXGHEAIYDLBSEI-MRXNPFEDSA-N
XLogP4.18
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 90282908) is 3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is Cc1occc1C(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)C[C@H]1C.
What is the InChIKey of 3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is IXGHEAIYDLBSEI-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-15(2)22-21-14-32-25(5,6)11-19(21)20(12-26)23(27-22)28-8-9-29(16(3)13-28)24(30)18-7-10-31-17(18)4/h7,10,15-16H,8-9,11,13-14H2,1-6H3/t16-/m1/s1.
What are the key properties of 3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 436.56 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 90282908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).