N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C18H25N5O3S — CID 95789722

IUPACN-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCCC3)cnc21
InChIInChI=1S/C18H25N5O3S/c1-12(2)23-17-13(9-20-23)7-14(8-19-17)18(24)21-15-10-27(25,26)11-16(15)22-5-3-4-6-22/h7-9,12,15-16H,3-6,10-11H2,1-2H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyCDYIRNSQWGXQEC-CVEARBPZSA-N
MW391.50 g/mol
LogP1.00
Rot. Bonds4

About N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 95789722) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID95789722
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCCC3)cnc21
InChIInChI=1S/C18H25N5O3S/c1-12(2)23-17-13(9-20-23)7-14(8-19-17)18(24)21-15-10-27(25,26)11-16(15)22-5-3-4-6-22/h7-9,12,15-16H,3-6,10-11H2,1-2H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyCDYIRNSQWGXQEC-CVEARBPZSA-N
XLogP1.00
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 100839330
cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677416
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 71900391
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120944386
N-(6-piperidin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24601888
N-[(3R,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-6-methylpyridine-2-carboxamide
CID 95288837
N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581530
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581596
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 35247874
N'-(4-fluorobenzoyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 46523701
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55729815
N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581633

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 95789722) is N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCCC3)cnc21.
What is the InChIKey of N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is CDYIRNSQWGXQEC-CVEARBPZSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-12(2)23-17-13(9-20-23)7-14(8-19-17)18(24)21-15-10-27(25,26)11-16(15)22-5-3-4-6-22/h7-9,12,15-16H,3-6,10-11H2,1-2H3,(H,21,24)/t15-,16+/m1/s1.
What are the key properties of N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 95789722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).