2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

C19H25N3O4S — CID 25492597

IUPAC2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)OCC(C)C)c12
InChIInChI=1S/C19H25N3O4S/c1-11(2)9-26-19(23)15-8-16(13-4-5-13)20-18-17(15)12(3)21-22(18)14-6-7-27(24,25)10-14/h8,11,13-14H,4-7,9-10H2,1-3H3/t14-/m0/s1
InChIKeyUNOWADCUFVFQPA-AWEZNQCLSA-N
MW391.49 g/mol
LogP2.79
Rot. Bonds5

About 2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 25492597) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID25492597
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)OCC(C)C)c12
InChIInChI=1S/C19H25N3O4S/c1-11(2)9-26-19(23)15-8-16(13-4-5-13)20-18-17(15)12(3)21-22(18)14-6-7-27(24,25)10-14/h8,11,13-14H,4-7,9-10H2,1-3H3/t14-/m0/s1
InChIKeyUNOWADCUFVFQPA-AWEZNQCLSA-N
XLogP2.79
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-N-(2,6-dimethylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25497379
N-cycloheptyl-6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26918577
N-cycloheptyl-6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26918578
6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-N-(3-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25498319
N-butyl-6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46636245
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-N-(3,5-difluorophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 25495078
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43034676
6-cyclopropyl-N-(3,4-dimethylphenyl)-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42917513
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-ethoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 42917561
6-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]-N,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 40897254
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 46540347

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of 2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 25492597) is 2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for 2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)OCC(C)C)c12.
What is the InChIKey of 2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is UNOWADCUFVFQPA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-11(2)9-26-19(23)15-8-16(13-4-5-13)20-18-17(15)12(3)21-22(18)14-6-7-27(24,25)10-14/h8,11,13-14H,4-7,9-10H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 391.49 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 6-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 25492597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).