[4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine

C23H28N10O — CID 167366222

IUPAC[4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
SMILESCn1cc(-c2ccc3c(n2)OCCN3c2n[nH]c3nc(N4CCC(C)(CN)CC4)cnc23)cn1
InChIInChI=1S/C23H28N10O/c1-23(14-24)5-7-32(8-6-23)18-12-25-19-20(28-18)29-30-21(19)33-9-10-34-22-17(33)4-3-16(27-22)15-11-26-31(2)13-15/h3-4,11-13H,5-10,14,24H2,1-2H3,(H,28,29,30)
InChIKeyUILXIVQCYNHIGX-UHFFFAOYSA-N
MW460.55 g/mol
LogP2.24
Rot. Bonds4

About [4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine

[4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine (PubChem CID 167366222) has the molecular formula C23H28N10O and a molecular weight of 460.55 g/mol. Its IUPAC name is [4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
PubChem CID167366222
Molecular FormulaC23H28N10O
Molecular Weight460.55 g/mol
Exact Mass460.24
IUPAC Name[4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine
SMILESCn1cc(-c2ccc3c(n2)OCCN3c2n[nH]c3nc(N4CCC(C)(CN)CC4)cnc23)cn1
InChIInChI=1S/C23H28N10O/c1-23(14-24)5-7-32(8-6-23)18-12-25-19-20(28-18)29-30-21(19)33-9-10-34-22-17(33)4-3-16(27-22)15-11-26-31(2)13-15/h3-4,11-13H,5-10,14,24H2,1-2H3,(H,28,29,30)
InChIKeyUILXIVQCYNHIGX-UHFFFAOYSA-N
XLogP2.24
TPSA126.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
The IUPAC name of [4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine (CID 167366222) is [4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine is Cn1cc(-c2ccc3c(n2)OCCN3c2n[nH]c3nc(N4CCC(C)(CN)CC4)cnc23)cn1.
What is the InChIKey of [4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
The InChIKey is UILXIVQCYNHIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N10O/c1-23(14-24)5-7-32(8-6-23)18-12-25-19-20(28-18)29-30-21(19)33-9-10-34-22-17(33)4-3-16(27-22)15-11-26-31(2)13-15/h3-4,11-13H,5-10,14,24H2,1-2H3,(H,28,29,30).
What are the key properties of [4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine?
[4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine has a molecular weight of 460.55 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[3-[6-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 167366222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).