2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H18N8O — CID 90994686

IUPAC2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(NNc2ccc3cn[nH]c3c2)nc2[nH]ccc12
InChIInChI=1S/C16H18N8O/c1-25-7-6-18-15-12-4-5-17-14(12)20-16(21-15)24-22-11-3-2-10-9-19-23-13(10)8-11/h2-5,8-9,22H,6-7H2,1H3,(H,19,23)(H3,17,18,20,21,24)
InChIKeyDAXRFYNBHYORGQ-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.33
Rot. Bonds7

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

2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 90994686) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID90994686
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOCCNc1nc(NNc2ccc3cn[nH]c3c2)nc2[nH]ccc12
InChIInChI=1S/C16H18N8O/c1-25-7-6-18-15-12-4-5-17-14(12)20-16(21-15)24-22-11-3-2-10-9-19-23-13(10)8-11/h2-5,8-9,22H,6-7H2,1H3,(H,19,23)(H3,17,18,20,21,24)
InChIKeyDAXRFYNBHYORGQ-UHFFFAOYSA-N
XLogP2.33
TPSA115.57 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[2-(1H-indazol-6-yl)hydrazinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 91219468
4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide
CID 25195908
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 155536111
N-(3-methoxy-2-methylpropyl)-1H-indazol-6-amine
CID 116501115
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-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine
CID 106675315
N-(2-methoxyethyl)-1H-indol-5-amine
CID 82539811
N-(cyclohexylmethyl)-1H-indazol-6-amine
CID 5333513
N-(3-methylsulfanylpropyl)-1H-indazol-6-amine
CID 43743379
N-(1H-indazol-6-yl)sulfamoyl chloride
CID 84760699
N-(1H-indazol-6-yl)-1H-indole-4-carboxamide
CID 61258694
N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
CID 43790642

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 90994686) is 2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COCCNc1nc(NNc2ccc3cn[nH]c3c2)nc2[nH]ccc12.
What is the InChIKey of 2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DAXRFYNBHYORGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-25-7-6-18-15-12-4-5-17-14(12)20-16(21-15)24-22-11-3-2-10-9-19-23-13(10)8-11/h2-5,8-9,22H,6-7H2,1H3,(H,19,23)(H3,17,18,20,21,24).
What are the key properties of 2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 338.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indazol-6-yl)hydrazinyl]-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 90994686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).