2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol

C15H16N8O — CID 91219468

IUPAC2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1nc(NNc2ccc3cn[nH]c3c2)nc2[nH]ccc12
InChIInChI=1S/C15H16N8O/c24-6-5-17-14-11-3-4-16-13(11)19-15(20-14)23-21-10-2-1-9-8-18-22-12(9)7-10/h1-4,7-8,21,24H,5-6H2,(H,18,22)(H3,16,17,19,20,23)
InChIKeyIJXFJCXEFCZUHQ-UHFFFAOYSA-N
MW324.35 g/mol
LogP1.68
Rot. Bonds6

About 2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol

2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 91219468) has the molecular formula C15H16N8O and a molecular weight of 324.35 g/mol. Its IUPAC name is 2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
PubChem CID91219468
Molecular FormulaC15H16N8O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1nc(NNc2ccc3cn[nH]c3c2)nc2[nH]ccc12
InChIInChI=1S/C15H16N8O/c24-6-5-17-14-11-3-4-16-13(11)19-15(20-14)23-21-10-2-1-9-8-18-22-12(9)7-10/h1-4,7-8,21,24H,5-6H2,(H,18,22)(H3,16,17,19,20,23)
InChIKeyIJXFJCXEFCZUHQ-UHFFFAOYSA-N
XLogP1.68
TPSA126.57 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.35
LogP ≤ 51.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 90994686
4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide
CID 25195908
4-N-(1,3-benzothiazol-5-yl)-2-N-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 25196116
N-(1H-indazol-6-yl)-1H-indole-4-carboxamide
CID 61258694
N-(1H-indazol-6-yl)sulfamoyl chloride
CID 84760699
N-[2-[[5-bromo-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 21081267
N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 505746
4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
CID 67129963
N-(3-methylsulfanylpropyl)-1H-indazol-6-amine
CID 43743379
N-(cyclohexylmethyl)-1H-indazol-6-amine
CID 5333513
N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine
CID 106675315
N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
CID 43790642

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol (CID 91219468) is 2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol is OCCNc1nc(NNc2ccc3cn[nH]c3c2)nc2[nH]ccc12.
What is the InChIKey of 2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is IJXFJCXEFCZUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O/c24-6-5-17-14-11-3-4-16-13(11)19-15(20-14)23-21-10-2-1-9-8-18-22-12(9)7-10/h1-4,7-8,21,24H,5-6H2,(H,18,22)(H3,16,17,19,20,23).
What are the key properties of 2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 324.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 91219468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).