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

C15H17Cl2N5O — CID 70270728

IUPAC4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrochloride
SMILESCl.Cl.NCCc1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1
InChIInChI=1S/C15H15N5O.2ClH/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);2*1H
InChIKeyZIYMRBPLIMXXFP-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.56
Rot. Bonds4

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

4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrochloride (PubChem CID 70270728) has the molecular formula C15H17Cl2N5O and a molecular weight of 354.24 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrochloride
PubChem CID70270728
Molecular FormulaC15H17Cl2N5O
Molecular Weight354.24 g/mol
Exact Mass353.08
IUPAC Name4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrochloride
SMILESCl.Cl.NCCc1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1
InChIInChI=1S/C15H15N5O.2ClH/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);2*1H
InChIKeyZIYMRBPLIMXXFP-UHFFFAOYSA-N
XLogP2.56
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 70270729
4-[(diaminomethylideneamino)methyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;hydrate;dihydrochloride
CID 22120499
N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 22120458
4-[[[amino(ethylamino)methylidene]amino]methyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 22120634
4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide
CID 142654986
4-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 76849006
4-(aminomethyl)-3,5-dimethyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 22120510
4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 22120519
4-[[ethyl-(N'-ethylcarbamimidoyl)amino]methyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 57324118
4-[1-amino-2-(benzylamino)-2-oxoethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 15982632
4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 22120587
(3R)-3-amino-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2,3-dihydro-1-benzothiophene-6-carboxamide
CID 69047662

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrochloride?
The IUPAC name of 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrochloride (CID 70270728) is 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrochloride?
The canonical SMILES for 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrochloride is Cl.Cl.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;dihydrochloride?
The InChIKey is ZIYMRBPLIMXXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O.2ClH/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);2*1H.
What are the key properties of 4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrochloride?
4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrochloride has a molecular weight of 354.24 g/mol, XLogP of 2.56, 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;dihydrochloride is sourced from PubChem (CID 70270728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).