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

C26H35N5O3 — CID 90283446

IUPAC3,3-dimethyl-6-[(3R)-4-(4-methyl-1,3-oxazole-5-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1ncoc1C(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)C[C@H]1C(C)C
InChIInChI=1S/C26H35N5O3/c1-15(2)21-12-30(8-9-31(21)25(32)23-17(5)28-14-33-23)24-19(11-27)18-10-26(6,7)34-13-20(18)22(29-24)16(3)4/h14-16,21H,8-10,12-13H2,1-7H3/t21-/m0/s1
InChIKeyDIYTZWXDTYTGLX-NRFANRHFSA-N
MW465.60 g/mol
LogP4.21
Rot. Bonds4

About 3,3-dimethyl-6-[(3R)-4-(4-methyl-1,3-oxazole-5-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-(4-methyl-1,3-oxazole-5-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 90283446) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 3,3-dimethyl-6-[(3R)-4-(4-methyl-1,3-oxazole-5-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-(4-methyl-1,3-oxazole-5-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID90283446
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name3,3-dimethyl-6-[(3R)-4-(4-methyl-1,3-oxazole-5-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1ncoc1C(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)C[C@H]1C(C)C
InChIInChI=1S/C26H35N5O3/c1-15(2)21-12-30(8-9-31(21)25(32)23-17(5)28-14-33-23)24-19(11-27)18-10-26(6,7)34-13-20(18)22(29-24)16(3)4/h14-16,21H,8-10,12-13H2,1-7H3/t21-/m0/s1
InChIKeyDIYTZWXDTYTGLX-NRFANRHFSA-N
XLogP4.21
TPSA95.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.21
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-[(3R)-4-(4-methyl-1,3-oxazole-5-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-(4-methyl-1,3-oxazole-5-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 90283446) is 3,3-dimethyl-6-[(3R)-4-(4-methyl-1,3-oxazole-5-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-(4-methyl-1,3-oxazole-5-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-(4-methyl-1,3-oxazole-5-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is Cc1ncoc1C(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)C[C@H]1C(C)C.
What is the InChIKey of 3,3-dimethyl-6-[(3R)-4-(4-methyl-1,3-oxazole-5-carbonyl)-3-propan-2-ylpiperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is DIYTZWXDTYTGLX-NRFANRHFSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-15(2)21-12-30(8-9-31(21)25(32)23-17(5)28-14-33-23)24-19(11-27)18-10-26(6,7)34-13-20(18)22(29-24)16(3)4/h14-16,21H,8-10,12-13H2,1-7H3/t21-/m0/s1.
What are the key properties of 3,3-dimethyl-6-[(3R)-4-(4-methyl-1,3-oxazole-5-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-(4-methyl-1,3-oxazole-5-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 465.60 g/mol, XLogP of 4.21, 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-(4-methyl-1,3-oxazole-5-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 90283446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).