1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide

C13H17N5O — CID 65464709

IUPAC1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)C3(N)CC3)cnc21
InChIInChI=1S/C13H17N5O/c1-8(2)18-11-9(6-16-18)5-10(7-15-11)17-12(19)13(14)3-4-13/h5-8H,3-4,14H2,1-2H3,(H,17,19)
InChIKeySPTGSRFFDITNSI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.44
Rot. Bonds3

About 1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide

1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide (PubChem CID 65464709) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
PubChem CID65464709
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)C3(N)CC3)cnc21
InChIInChI=1S/C13H17N5O/c1-8(2)18-11-9(6-16-18)5-10(7-15-11)17-12(19)13(14)3-4-13/h5-8H,3-4,14H2,1-2H3,(H,17,19)
InChIKeySPTGSRFFDITNSI-UHFFFAOYSA-N
XLogP1.44
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide (CID 65464709) is 1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide is CC(C)n1ncc2cc(NC(=O)C3(N)CC3)cnc21.
What is the InChIKey of 1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide?
The InChIKey is SPTGSRFFDITNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8(2)18-11-9(6-16-18)5-10(7-15-11)17-12(19)13(14)3-4-13/h5-8H,3-4,14H2,1-2H3,(H,17,19).
What are the key properties of 1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide?
1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65464709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).