1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide

C20H26N6O — CID 55758271

IUPAC1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cc(C4CC4)nn3C(C)(C)C)cnc21
InChIInChI=1S/C20H26N6O/c1-12(2)25-18-14(10-22-25)8-15(11-21-18)23-19(27)17-9-16(13-6-7-13)24-26(17)20(3,4)5/h8-13H,6-7H2,1-5H3,(H,23,27)
InChIKeyAPPXEMVISAFQSG-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.09
Rot. Bonds4

About 1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide

1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide (PubChem CID 55758271) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide
PubChem CID55758271
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cc(C4CC4)nn3C(C)(C)C)cnc21
InChIInChI=1S/C20H26N6O/c1-12(2)25-18-14(10-22-25)8-15(11-21-18)23-19(27)17-9-16(13-6-7-13)24-26(17)20(3,4)5/h8-13H,6-7H2,1-5H3,(H,23,27)
InChIKeyAPPXEMVISAFQSG-UHFFFAOYSA-N
XLogP4.09
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide (CID 55758271) is 1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide is CC(C)n1ncc2cc(NC(=O)c3cc(C4CC4)nn3C(C)(C)C)cnc21.
What is the InChIKey of 1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide?
The InChIKey is APPXEMVISAFQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-12(2)25-18-14(10-22-25)8-15(11-21-18)23-19(27)17-9-16(13-6-7-13)24-26(17)20(3,4)5/h8-13H,6-7H2,1-5H3,(H,23,27).
What are the key properties of 1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide?
1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 55758271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).