N-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide

C24H31N5O3S — CID 60617979

IUPACN-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N3CSCC3C(=O)NC(C)(C)C)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C24H31N5O3S/c1-13(2)29-21-18(10-25-29)17(9-19(26-21)16-8-14(3)32-15(16)4)23(31)28-12-33-11-20(28)22(30)27-24(5,6)7/h8-10,13,20H,11-12H2,1-7H3,(H,27,30)
InChIKeyUAMNCMQMVPZJOQ-UHFFFAOYSA-N
MW469.61 g/mol
LogP4.32
Rot. Bonds4

About N-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide

N-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 60617979) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide
PubChem CID60617979
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC NameN-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N3CSCC3C(=O)NC(C)(C)C)c3cnn(C(C)C)c3n2)c(C)o1
InChIInChI=1S/C24H31N5O3S/c1-13(2)29-21-18(10-25-29)17(9-19(26-21)16-8-14(3)32-15(16)4)23(31)28-12-33-11-20(28)22(30)27-24(5,6)7/h8-10,13,20H,11-12H2,1-7H3,(H,27,30)
InChIKeyUAMNCMQMVPZJOQ-UHFFFAOYSA-N
XLogP4.32
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,5-dimethylfuran-3-yl)-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119500414
6-(2,5-dimethylfuran-3-yl)-N-(1-hydroxypropan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78857387
N-(2-aminoethyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119382405
2-[4-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 78835364
6-(2,5-dimethylfuran-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 112807922
N-butyl-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55485914
2-[[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]propanoic acid
CID 119359044
N-[1-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]benzamide
CID 43040476
6-(2,5-dimethylfuran-3-yl)-1-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78859788
N-(3-aminopropyl)-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119405283
[2-(3-methylbutylamino)-2-oxoethyl] 6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693193
6-(2,5-dimethylfuran-3-yl)-N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166207119

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide (CID 60617979) is N-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide is Cc1cc(-c2cc(C(=O)N3CSCC3C(=O)NC(C)(C)C)c3cnn(C(C)C)c3n2)c(C)o1.
What is the InChIKey of N-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is UAMNCMQMVPZJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-13(2)29-21-18(10-25-29)17(9-19(26-21)16-8-14(3)32-15(16)4)23(31)28-12-33-11-20(28)22(30)27-24(5,6)7/h8-10,13,20H,11-12H2,1-7H3,(H,27,30).
What are the key properties of N-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
N-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60617979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).