6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C25H30N4O3S — CID 43025552

IUPAC6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C1CCS(=O)(=O)C1
InChIInChI=1S/C25H30N4O3S/c1-14(2)19-7-5-6-15(3)23(19)27-25(30)20-12-21(17-8-9-17)26-24-22(20)16(4)28-29(24)18-10-11-33(31,32)13-18/h5-7,12,14,17-18H,8-11,13H2,1-4H3,(H,27,30)
InChIKeyHYRGUOSDPQAKJI-UHFFFAOYSA-N
MW466.61 g/mol
LogP4.66
Rot. Bonds5

About 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43025552) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID43025552
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC Name6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C1CCS(=O)(=O)C1
InChIInChI=1S/C25H30N4O3S/c1-14(2)19-7-5-6-15(3)23(19)27-25(30)20-12-21(17-8-9-17)26-24-22(20)16(4)28-29(24)18-10-11-33(31,32)13-18/h5-7,12,14,17-18H,8-11,13H2,1-4H3,(H,27,30)
InChIKeyHYRGUOSDPQAKJI-UHFFFAOYSA-N
XLogP4.66
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C1CCS(=O)(=O)C1.
What is the InChIKey of 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HYRGUOSDPQAKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-14(2)19-7-5-6-15(3)23(19)27-25(30)20-12-21(17-8-9-17)26-24-22(20)16(4)28-29(24)18-10-11-33(31,32)13-18/h5-7,12,14,17-18H,8-11,13H2,1-4H3,(H,27,30).
What are the key properties of 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43025552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).