2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide

C15H23N5O — CID 61259933

IUPAC2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCCC(C)NCC(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C15H23N5O/c1-5-11(4)16-9-14(21)19-13-6-12-7-18-20(10(2)3)15(12)17-8-13/h6-8,10-11,16H,5,9H2,1-4H3,(H,19,21)
InChIKeyHGYCHVUHBKSBPP-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.34
Rot. Bonds6

About 2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide

2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide (PubChem CID 61259933) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
PubChem CID61259933
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
SMILESCCC(C)NCC(=O)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C15H23N5O/c1-5-11(4)16-9-14(21)19-13-6-12-7-18-20(10(2)3)15(12)17-8-13/h6-8,10-11,16H,5,9H2,1-4H3,(H,19,21)
InChIKeyHGYCHVUHBKSBPP-UHFFFAOYSA-N
XLogP2.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide (CID 61259933) is 2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide is CCC(C)NCC(=O)Nc1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
The InChIKey is HGYCHVUHBKSBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-11(4)16-9-14(21)19-13-6-12-7-18-20(10(2)3)15(12)17-8-13/h6-8,10-11,16H,5,9H2,1-4H3,(H,19,21).
What are the key properties of 2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide?
2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 61259933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).