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

C25H33N5O3 — CID 90282991

IUPAC3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(N2CCN(C(=O)c3cocn3)[C@H](C(C)C)C2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C25H33N5O3/c1-15(2)21-11-29(7-8-30(21)24(31)20-13-32-14-27-20)23-18(10-26)17-9-25(5,6)33-12-19(17)22(28-23)16(3)4/h13-16,21H,7-9,11-12H2,1-6H3/t21-/m0/s1
InChIKeyGVICLSSHXGOQRL-NRFANRHFSA-N
MW451.57 g/mol
LogP3.90
Rot. Bonds4

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

3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 90282991) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID90282991
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(N2CCN(C(=O)c3cocn3)[C@H](C(C)C)C2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C25H33N5O3/c1-15(2)21-11-29(7-8-30(21)24(31)20-13-32-14-27-20)23-18(10-26)17-9-25(5,6)33-12-19(17)22(28-23)16(3)4/h13-16,21H,7-9,11-12H2,1-6H3/t21-/m0/s1
InChIKeyGVICLSSHXGOQRL-NRFANRHFSA-N
XLogP3.90
TPSA95.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 90282991) is 3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-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)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC(C)c1nc(N2CCN(C(=O)c3cocn3)[C@H](C(C)C)C2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is GVICLSSHXGOQRL-NRFANRHFSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-15(2)21-11-29(7-8-30(21)24(31)20-13-32-14-27-20)23-18(10-26)17-9-25(5,6)33-12-19(17)22(28-23)16(3)4/h13-16,21H,7-9,11-12H2,1-6H3/t21-/m0/s1.
What are the key properties of 3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 451.57 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-[(3R)-4-(1,3-oxazole-4-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 90282991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).