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

C25H31N5O2 — CID 90282932

IUPAC3,3-dimethyl-6-[(3R)-3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(N2CCN(C(=O)c3cccnc3)[C@H](C)C2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C25H31N5O2/c1-16(2)22-21-15-32-25(4,5)11-19(21)20(12-26)23(28-22)29-9-10-30(17(3)14-29)24(31)18-7-6-8-27-13-18/h6-8,13,16-17H,9-11,14-15H2,1-5H3/t17-/m1/s1
InChIKeyNIMCRCFPCSQSJG-QGZVFWFLSA-N
MW433.56 g/mol
LogP3.67
Rot. Bonds3

About 3,3-dimethyl-6-[(3R)-3-methyl-4-(pyridine-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-(pyridine-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 90282932) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 3,3-dimethyl-6-[(3R)-3-methyl-4-(pyridine-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-(pyridine-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID90282932
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name3,3-dimethyl-6-[(3R)-3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(N2CCN(C(=O)c3cccnc3)[C@H](C)C2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C25H31N5O2/c1-16(2)22-21-15-32-25(4,5)11-19(21)20(12-26)23(28-22)29-9-10-30(17(3)14-29)24(31)18-7-6-8-27-13-18/h6-8,13,16-17H,9-11,14-15H2,1-5H3/t17-/m1/s1
InChIKeyNIMCRCFPCSQSJG-QGZVFWFLSA-N
XLogP3.67
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.67
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-(pyridine-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-(pyridine-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 90282932) is 3,3-dimethyl-6-[(3R)-3-methyl-4-(pyridine-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-(pyridine-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-(pyridine-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC(C)c1nc(N2CCN(C(=O)c3cccnc3)[C@H](C)C2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 3,3-dimethyl-6-[(3R)-3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is NIMCRCFPCSQSJG-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-16(2)22-21-15-32-25(4,5)11-19(21)20(12-26)23(28-22)29-9-10-30(17(3)14-29)24(31)18-7-6-8-27-13-18/h6-8,13,16-17H,9-11,14-15H2,1-5H3/t17-/m1/s1.
What are the key properties of 3,3-dimethyl-6-[(3R)-3-methyl-4-(pyridine-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-(pyridine-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 433.56 g/mol, XLogP of 3.67, 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-(pyridine-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 90282932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).