6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide

C30H36N6O2 — CID 22398228

IUPAC6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide
SMILESCc1cc2c(cc1Oc1cccc(C(=O)NNc3cc(C)c4c(C)nn(C)c4n3)n1)C(C)(C)CCC2(C)C
InChIInChI=1S/C30H36N6O2/c1-17-14-20-21(30(6,7)13-12-29(20,4)5)16-23(17)38-25-11-9-10-22(31-25)28(37)34-33-24-15-18(2)26-19(3)35-36(8)27(26)32-24/h9-11,14-16H,12-13H2,1-8H3,(H,32,33)(H,34,37)
InChIKeyIXMZSHSFGSHWNX-UHFFFAOYSA-N
MW512.66 g/mol
LogP6.19
Rot. Bonds5

About 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide

6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide (PubChem CID 22398228) has the molecular formula C30H36N6O2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide
PubChem CID22398228
Molecular FormulaC30H36N6O2
Molecular Weight512.66 g/mol
Exact Mass512.29
IUPAC Name6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide
SMILESCc1cc2c(cc1Oc1cccc(C(=O)NNc3cc(C)c4c(C)nn(C)c4n3)n1)C(C)(C)CCC2(C)C
InChIInChI=1S/C30H36N6O2/c1-17-14-20-21(30(6,7)13-12-29(20,4)5)16-23(17)38-25-11-9-10-22(31-25)28(37)34-33-24-15-18(2)26-19(3)35-36(8)27(26)32-24/h9-11,14-16H,12-13H2,1-8H3,(H,32,33)(H,34,37)
InChIKeyIXMZSHSFGSHWNX-UHFFFAOYSA-N
XLogP6.19
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide?
The IUPAC name of 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide (CID 22398228) is 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide is Cc1cc2c(cc1Oc1cccc(C(=O)NNc3cc(C)c4c(C)nn(C)c4n3)n1)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide?
The InChIKey is IXMZSHSFGSHWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O2/c1-17-14-20-21(30(6,7)13-12-29(20,4)5)16-23(17)38-25-11-9-10-22(31-25)28(37)34-33-24-15-18(2)26-19(3)35-36(8)27(26)32-24/h9-11,14-16H,12-13H2,1-8H3,(H,32,33)(H,34,37).
What are the key properties of 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide?
6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide has a molecular weight of 512.66 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)oxy]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 22398228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).