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

C23H29N5O3 — CID 90282998

IUPAC3,3-dimethyl-6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(N2CCN(C(=O)c3cocn3)C(C)C2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C23H29N5O3/c1-14(2)20-18-11-31-23(4,5)8-16(18)17(9-24)21(26-20)27-6-7-28(15(3)10-27)22(29)19-12-30-13-25-19/h12-15H,6-8,10-11H2,1-5H3
InChIKeySLACPRJTUOEKLD-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.27
Rot. Bonds3

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

3,3-dimethyl-6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 90282998) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3,3-dimethyl-6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID90282998
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name3,3-dimethyl-6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)c1nc(N2CCN(C(=O)c3cocn3)C(C)C2)c(C#N)c2c1COC(C)(C)C2
InChIInChI=1S/C23H29N5O3/c1-14(2)20-18-11-31-23(4,5)8-16(18)17(9-24)21(26-20)27-6-7-28(15(3)10-27)22(29)19-12-30-13-25-19/h12-15H,6-8,10-11H2,1-5H3
InChIKeySLACPRJTUOEKLD-UHFFFAOYSA-N
XLogP3.27
TPSA95.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[3-methyl-4-(1,3-oxazole-4-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-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 90282998) is 3,3-dimethyl-6-[3-methyl-4-(1,3-oxazole-4-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-[3-methyl-4-(1,3-oxazole-4-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-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC(C)c1nc(N2CCN(C(=O)c3cocn3)C(C)C2)c(C#N)c2c1COC(C)(C)C2.
What is the InChIKey of 3,3-dimethyl-6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is SLACPRJTUOEKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-14(2)20-18-11-31-23(4,5)8-16(18)17(9-24)21(26-20)27-6-7-28(15(3)10-27)22(29)19-12-30-13-25-19/h12-15H,6-8,10-11H2,1-5H3.
What are the key properties of 3,3-dimethyl-6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
3,3-dimethyl-6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 423.52 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-[3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 90282998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).