2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide

C28H25N5O3 — CID 108753753

IUPAC2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(NC(=O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)cc12
InChIInChI=1S/C28H25N5O3/c1-17-23-15-19(16-29-25(23)33(31-17)21-10-6-3-7-11-21)30-26(34)18-12-13-22-24(14-18)28(36)32(27(22)35)20-8-4-2-5-9-20/h3,6-7,10-16,20H,2,4-5,8-9H2,1H3,(H,30,34)
InChIKeyBUHSZSRKJXRWQM-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.91
Rot. Bonds4

About 2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide

2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108753753) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID108753753
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC Name2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(NC(=O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)cc12
InChIInChI=1S/C28H25N5O3/c1-17-23-15-19(16-29-25(23)33(31-17)21-10-6-3-7-11-21)30-26(34)18-12-13-22-24(14-18)28(36)32(27(22)35)20-8-4-2-5-9-20/h3,6-7,10-16,20H,2,4-5,8-9H2,1H3,(H,30,34)
InChIKeyBUHSZSRKJXRWQM-UHFFFAOYSA-N
XLogP4.91
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide (CID 108753753) is 2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide is Cc1nn(-c2ccccc2)c2ncc(NC(=O)c3ccc4c(c3)C(=O)N(C3CCCCC3)C4=O)cc12.
What is the InChIKey of 2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is BUHSZSRKJXRWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/c1-17-23-15-19(16-29-25(23)33(31-17)21-10-6-3-7-11-21)30-26(34)18-12-13-22-24(14-18)28(36)32(27(22)35)20-8-4-2-5-9-20/h3,6-7,10-16,20H,2,4-5,8-9H2,1H3,(H,30,34).
What are the key properties of 2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide?
2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108753753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).