N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine

C28H32N6O2 — CID 69292616

IUPACN-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine
SMILESCc1cnccc1NCc1ccc(OCC2CCC3CN(c4noc5ccccc45)CCN3C2)nc1
InChIInChI=1S/C28H32N6O2/c1-20-14-29-11-10-25(20)30-15-21-7-9-27(31-16-21)35-19-22-6-8-23-18-34(13-12-33(23)17-22)28-24-4-2-3-5-26(24)36-32-28/h2-5,7,9-11,14,16,22-23H,6,8,12-13,15,17-19H2,1H3,(H,29,30)
InChIKeyNXWQTKQAHBFKHV-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.52
Rot. Bonds7

About N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine

N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine (PubChem CID 69292616) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine
PubChem CID69292616
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC NameN-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine
SMILESCc1cnccc1NCc1ccc(OCC2CCC3CN(c4noc5ccccc45)CCN3C2)nc1
InChIInChI=1S/C28H32N6O2/c1-20-14-29-11-10-25(20)30-15-21-7-9-27(31-16-21)35-19-22-6-8-23-18-34(13-12-33(23)17-22)28-24-4-2-3-5-26(24)36-32-28/h2-5,7,9-11,14,16,22-23H,6,8,12-13,15,17-19H2,1H3,(H,29,30)
InChIKeyNXWQTKQAHBFKHV-UHFFFAOYSA-N
XLogP4.52
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine?
The IUPAC name of N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine (CID 69292616) is N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine.
What is the SMILES notation for N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine?
The canonical SMILES for N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine is Cc1cnccc1NCc1ccc(OCC2CCC3CN(c4noc5ccccc45)CCN3C2)nc1.
What is the InChIKey of N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine?
The InChIKey is NXWQTKQAHBFKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-20-14-29-11-10-25(20)30-15-21-7-9-27(31-16-21)35-19-22-6-8-23-18-34(13-12-33(23)17-22)28-24-4-2-3-5-26(24)36-32-28/h2-5,7,9-11,14,16,22-23H,6,8,12-13,15,17-19H2,1H3,(H,29,30).
What are the key properties of N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine?
N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine has a molecular weight of 484.60 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-3-pyridinyl]methyl]-3-methylpyridin-4-amine is sourced from PubChem (CID 69292616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).