N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine

C18H19N7O — CID 78321525

IUPACN-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine
SMILESCOCCNc1cc(-c2n[nH]c3ccc(-c4cnn(C)c4)cc23)ncn1
InChIInChI=1S/C18H19N7O/c1-25-10-13(9-22-25)12-3-4-15-14(7-12)18(24-23-15)16-8-17(21-11-20-16)19-5-6-26-2/h3-4,7-11H,5-6H2,1-2H3,(H,23,24)(H,19,20,21)
InChIKeyLLLFPOVCUDKEPY-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.48
Rot. Bonds6

About N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine

N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine (PubChem CID 78321525) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine
PubChem CID78321525
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC NameN-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine
SMILESCOCCNc1cc(-c2n[nH]c3ccc(-c4cnn(C)c4)cc23)ncn1
InChIInChI=1S/C18H19N7O/c1-25-10-13(9-22-25)12-3-4-15-14(7-12)18(24-23-15)16-8-17(21-11-20-16)19-5-6-26-2/h3-4,7-11H,5-6H2,1-2H3,(H,23,24)(H,19,20,21)
InChIKeyLLLFPOVCUDKEPY-UHFFFAOYSA-N
XLogP2.48
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine (CID 78321525) is N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine is COCCNc1cc(-c2n[nH]c3ccc(-c4cnn(C)c4)cc23)ncn1.
What is the InChIKey of N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine?
The InChIKey is LLLFPOVCUDKEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-25-10-13(9-22-25)12-3-4-15-14(7-12)18(24-23-15)16-8-17(21-11-20-16)19-5-6-26-2/h3-4,7-11H,5-6H2,1-2H3,(H,23,24)(H,19,20,21).
What are the key properties of N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine?
N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine has a molecular weight of 349.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 78321525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).