4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide

C15H17Br2N5O2 — CID 142654986

IUPAC4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide
SMILESBr.Br.NC(CO)c1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1
InChIInChI=1S/C15H15N5O2.2BrH/c16-12(8-21)9-1-3-10(4-2-9)15(22)19-13-5-6-17-14-11(13)7-18-20-14;;/h1-7,12,21H,8,16H2,(H2,17,18,19,20,22);2*1H
InChIKeyWRWVLNVMGRJVPB-UHFFFAOYSA-N
MW459.14 g/mol
LogP2.36
Rot. Bonds4

About 4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide

4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide (PubChem CID 142654986) has the molecular formula C15H17Br2N5O2 and a molecular weight of 459.14 g/mol. Its IUPAC name is 4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide.

Molecular Properties

Compound Name4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide
PubChem CID142654986
Molecular FormulaC15H17Br2N5O2
Molecular Weight459.14 g/mol
Exact Mass456.97
IUPAC Name4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide
SMILESBr.Br.NC(CO)c1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1
InChIInChI=1S/C15H15N5O2.2BrH/c16-12(8-21)9-1-3-10(4-2-9)15(22)19-13-5-6-17-14-11(13)7-18-20-14;;/h1-7,12,21H,8,16H2,(H2,17,18,19,20,22);2*1H
InChIKeyWRWVLNVMGRJVPB-UHFFFAOYSA-N
XLogP2.36
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.14
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide?
The IUPAC name of 4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide (CID 142654986) is 4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide.
What is the SMILES notation for 4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide?
The canonical SMILES for 4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide is Br.Br.NC(CO)c1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1.
What is the InChIKey of 4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide?
The InChIKey is WRWVLNVMGRJVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2.2BrH/c16-12(8-21)9-1-3-10(4-2-9)15(22)19-13-5-6-17-14-11(13)7-18-20-14;;/h1-7,12,21H,8,16H2,(H2,17,18,19,20,22);2*1H.
What are the key properties of 4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide?
4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide has a molecular weight of 459.14 g/mol, XLogP of 2.36, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide is sourced from PubChem (CID 142654986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).