6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C26H31N5O3S — CID 41184630

IUPAC6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCCCC4)cc3)c12
InChIInChI=1S/C26H31N5O3S/c1-17-24-22(26(32)27-19-7-9-20(10-8-19)30-12-3-2-4-13-30)15-23(18-5-6-18)28-25(24)31(29-17)21-11-14-35(33,34)16-21/h7-10,15,18,21H,2-6,11-14,16H2,1H3,(H,27,32)/t21-/m1/s1
InChIKeyBECUIRJYJHKCOY-OAQYLSRUSA-N
MW493.63 g/mol
LogP4.22
Rot. Bonds5

About 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 41184630) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID41184630
Molecular FormulaC26H31N5O3S
Molecular Weight493.63 g/mol
Exact Mass493.21
IUPAC Name6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCCCC4)cc3)c12
InChIInChI=1S/C26H31N5O3S/c1-17-24-22(26(32)27-19-7-9-20(10-8-19)30-12-3-2-4-13-30)15-23(18-5-6-18)28-25(24)31(29-17)21-11-14-35(33,34)16-21/h7-10,15,18,21H,2-6,11-14,16H2,1H3,(H,27,32)/t21-/m1/s1
InChIKeyBECUIRJYJHKCOY-OAQYLSRUSA-N
XLogP4.22
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42917513
6-cyclopropyl-N-(3,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46809415
6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25498319
6-cyclopropyl-N-(2,6-dimethylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25497379
6-cyclopropyl-N-(3,5-difluorophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25495078
N-cycloheptyl-6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26918578
N-cycloheptyl-6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26918577
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-fluoro-4-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42917558
6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-[3-(tetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 41169351
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 43025552
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46540347
6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methoxy-5-methylphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 41096296

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 41184630) is 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCCCC4)cc3)c12.
What is the InChIKey of 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BECUIRJYJHKCOY-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H31N5O3S/c1-17-24-22(26(32)27-19-7-9-20(10-8-19)30-12-3-2-4-13-30)15-23(18-5-6-18)28-25(24)31(29-17)21-11-14-35(33,34)16-21/h7-10,15,18,21H,2-6,11-14,16H2,1H3,(H,27,32)/t21-/m1/s1.
What are the key properties of 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 493.63 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methyl-N-(4-piperidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 41184630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).