4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide

C15H15N5O — CID 70270729

IUPAC4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
SMILESNCCc1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1
InChIInChI=1S/C15H15N5O/c16-7-5-10-1-3-11(4-2-10)15(21)19-13-6-8-17-14-12(13)9-18-20-14/h1-4,6,8-9H,5,7,16H2,(H2,17,18,19,20,21)
InChIKeyHAUXAVPNVJGWSQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.71
Rot. Bonds4

About 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide

4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide (PubChem CID 70270729) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
PubChem CID70270729
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
SMILESNCCc1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1
InChIInChI=1S/C15H15N5O/c16-7-5-10-1-3-11(4-2-10)15(21)19-13-6-8-17-14-12(13)9-18-20-14/h1-4,6,8-9H,5,7,16H2,(H2,17,18,19,20,21)
InChIKeyHAUXAVPNVJGWSQ-UHFFFAOYSA-N
XLogP1.71
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide (CID 70270729) is 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide is NCCc1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The InChIKey is HAUXAVPNVJGWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-7-5-10-1-3-11(4-2-10)15(21)19-13-6-8-17-14-12(13)9-18-20-14/h1-4,6,8-9H,5,7,16H2,(H2,17,18,19,20,21).
What are the key properties of 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide has a molecular weight of 281.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 70270729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).