5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide

C25H29N5O2 — CID 22398240

IUPAC5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide
SMILESCc1cc(C)c(C)c(Cc2ccc(C(=O)NNc3cc(C)c4c(C)nn(C)c4n3)o2)c1C
InChIInChI=1S/C25H29N5O2/c1-13-10-14(2)17(5)20(16(13)4)12-19-8-9-21(32-19)25(31)28-27-22-11-15(3)23-18(6)29-30(7)24(23)26-22/h8-11H,12H2,1-7H3,(H,26,27)(H,28,31)
InChIKeyBPHZQZRQPAELFQ-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.76
Rot. Bonds5

About 5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide

5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide (PubChem CID 22398240) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide
PubChem CID22398240
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide
SMILESCc1cc(C)c(C)c(Cc2ccc(C(=O)NNc3cc(C)c4c(C)nn(C)c4n3)o2)c1C
InChIInChI=1S/C25H29N5O2/c1-13-10-14(2)17(5)20(16(13)4)12-19-8-9-21(32-19)25(31)28-27-22-11-15(3)23-18(6)29-30(7)24(23)26-22/h8-11H,12H2,1-7H3,(H,26,27)(H,28,31)
InChIKeyBPHZQZRQPAELFQ-UHFFFAOYSA-N
XLogP4.76
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
The IUPAC name of 5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide (CID 22398240) is 5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide.
What is the SMILES notation for 5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
The canonical SMILES for 5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide is Cc1cc(C)c(C)c(Cc2ccc(C(=O)NNc3cc(C)c4c(C)nn(C)c4n3)o2)c1C.
What is the InChIKey of 5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
The InChIKey is BPHZQZRQPAELFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-13-10-14(2)17(5)20(16(13)4)12-19-8-9-21(32-19)25(31)28-27-22-11-15(3)23-18(6)29-30(7)24(23)26-22/h8-11H,12H2,1-7H3,(H,26,27)(H,28,31).
What are the key properties of 5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide?
5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide has a molecular weight of 431.54 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,5,6-tetramethylphenyl)methyl]-N'-(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)furan-2-carbohydrazide is sourced from PubChem (CID 22398240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).