N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C21H24N6O2S — CID 24538982

IUPACN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCc1cc2c(=O)n(NC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)cnc2s1
InChIInChI=1S/C21H24N6O2S/c1-6-13-7-15-20(30-13)22-10-26(21(15)29)25-19(28)14-8-17(11(2)3)24-18-16(14)9-23-27(18)12(4)5/h7-12H,6H2,1-5H3,(H,25,28)
InChIKeySPZXONALMPUTEK-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.85
Rot. Bonds5

About N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24538982) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID24538982
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC NameN-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCc1cc2c(=O)n(NC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)cnc2s1
InChIInChI=1S/C21H24N6O2S/c1-6-13-7-15-20(30-13)22-10-26(21(15)29)25-19(28)14-8-17(11(2)3)24-18-16(14)9-23-27(18)12(4)5/h7-12H,6H2,1-5H3,(H,25,28)
InChIKeySPZXONALMPUTEK-UHFFFAOYSA-N
XLogP3.85
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 24538982) is N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CCc1cc2c(=O)n(NC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)cnc2s1.
What is the InChIKey of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SPZXONALMPUTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-6-13-7-15-20(30-13)22-10-26(21(15)29)25-19(28)14-8-17(11(2)3)24-18-16(14)9-23-27(18)12(4)5/h7-12H,6H2,1-5H3,(H,25,28).
What are the key properties of N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24538982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).