4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide

C21H26N6O3 — CID 47050915

IUPAC4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Nc3cnc4c(cnn4C(C)C)c3)CC2)c(C)o1
InChIInChI=1S/C21H26N6O3/c1-13(2)27-19-16(11-23-27)10-17(12-22-19)24-21(29)26-7-5-25(6-8-26)20(28)18-9-14(3)30-15(18)4/h9-13H,5-8H2,1-4H3,(H,24,29)
InChIKeyYHIDTFGJZCHLJH-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.21
Rot. Bonds3

About 4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide

4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide (PubChem CID 47050915) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide
PubChem CID47050915
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)Nc3cnc4c(cnn4C(C)C)c3)CC2)c(C)o1
InChIInChI=1S/C21H26N6O3/c1-13(2)27-19-16(11-23-27)10-17(12-22-19)24-21(29)26-7-5-25(6-8-26)20(28)18-9-14(3)30-15(18)4/h9-13H,5-8H2,1-4H3,(H,24,29)
InChIKeyYHIDTFGJZCHLJH-UHFFFAOYSA-N
XLogP3.21
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide (CID 47050915) is 4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide is Cc1cc(C(=O)N2CCN(C(=O)Nc3cnc4c(cnn4C(C)C)c3)CC2)c(C)o1.
What is the InChIKey of 4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide?
The InChIKey is YHIDTFGJZCHLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-13(2)27-19-16(11-23-27)10-17(12-22-19)24-21(29)26-7-5-25(6-8-26)20(28)18-9-14(3)30-15(18)4/h9-13H,5-8H2,1-4H3,(H,24,29).
What are the key properties of 4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide?
4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylfuran-3-carbonyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 47050915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).