4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine

C24H24FN9O — CID 53259658

IUPAC4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine
SMILESCn1cc(-c2cnc3[nH]cc(-c4cc(C(C)(OCCN)c5ccccc5F)nc(N)n4)c3n2)cn1
InChIInChI=1S/C24H24FN9O/c1-24(35-8-7-26,16-5-3-4-6-17(16)25)20-9-18(32-23(27)33-20)15-11-28-22-21(15)31-19(12-29-22)14-10-30-34(2)13-14/h3-6,9-13H,7-8,26H2,1-2H3,(H,28,29)(H2,27,32,33)
InChIKeyYNHOCXIRTASFRO-UHFFFAOYSA-N
MW473.52 g/mol
LogP2.78
Rot. Bonds7

About 4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine

4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine (PubChem CID 53259658) has the molecular formula C24H24FN9O and a molecular weight of 473.52 g/mol. Its IUPAC name is 4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine
PubChem CID53259658
Molecular FormulaC24H24FN9O
Molecular Weight473.52 g/mol
Exact Mass473.21
IUPAC Name4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine
SMILESCn1cc(-c2cnc3[nH]cc(-c4cc(C(C)(OCCN)c5ccccc5F)nc(N)n4)c3n2)cn1
InChIInChI=1S/C24H24FN9O/c1-24(35-8-7-26,16-5-3-4-6-17(16)25)20-9-18(32-23(27)33-20)15-11-28-22-21(15)31-19(12-29-22)14-10-30-34(2)13-14/h3-6,9-13H,7-8,26H2,1-2H3,(H,28,29)(H2,27,32,33)
InChIKeyYNHOCXIRTASFRO-UHFFFAOYSA-N
XLogP2.78
TPSA146.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine?
The IUPAC name of 4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine (CID 53259658) is 4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine is Cn1cc(-c2cnc3[nH]cc(-c4cc(C(C)(OCCN)c5ccccc5F)nc(N)n4)c3n2)cn1.
What is the InChIKey of 4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine?
The InChIKey is YNHOCXIRTASFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN9O/c1-24(35-8-7-26,16-5-3-4-6-17(16)25)20-9-18(32-23(27)33-20)15-11-28-22-21(15)31-19(12-29-22)14-10-30-34(2)13-14/h3-6,9-13H,7-8,26H2,1-2H3,(H,28,29)(H2,27,32,33).
What are the key properties of 4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine?
4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine has a molecular weight of 473.52 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine is sourced from PubChem (CID 53259658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).