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

C27H30N6O2 — CID 69290518

IUPACN-[[6-[[2-(1,2-benzoxazol-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methoxy]-2-pyridinyl]methyl]pyridin-2-amine
SMILESc1ccc(NCc2cccc(OCC3CCC4CN(c5noc6ccccc56)CCN4C3)n2)nc1
InChIInChI=1S/C27H30N6O2/c1-2-8-24-23(7-1)27(31-35-24)33-15-14-32-17-20(11-12-22(32)18-33)19-34-26-10-5-6-21(30-26)16-29-25-9-3-4-13-28-25/h1-10,13,20,22H,11-12,14-19H2,(H,28,29)
InChIKeyZXGNJOABCWDJQV-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.21
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]-2-pyridinyl]methyl]pyridin-2-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]-2-pyridinyl]methyl]pyridin-2-amine (PubChem CID 69290518) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 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]-2-pyridinyl]methyl]pyridin-2-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]-2-pyridinyl]methyl]pyridin-2-amine
PubChem CID69290518
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
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]-2-pyridinyl]methyl]pyridin-2-amine
SMILESc1ccc(NCc2cccc(OCC3CCC4CN(c5noc6ccccc56)CCN4C3)n2)nc1
InChIInChI=1S/C27H30N6O2/c1-2-8-24-23(7-1)27(31-35-24)33-15-14-32-17-20(11-12-22(32)18-33)19-34-26-10-5-6-21(30-26)16-29-25-9-3-4-13-28-25/h1-10,13,20,22H,11-12,14-19H2,(H,28,29)
InChIKeyZXGNJOABCWDJQV-UHFFFAOYSA-N
XLogP4.21
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.21
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]-2-pyridinyl]methyl]pyridin-2-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]-2-pyridinyl]methyl]pyridin-2-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]-2-pyridinyl]methyl]pyridin-2-amine (CID 69290518) 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]-2-pyridinyl]methyl]pyridin-2-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]-2-pyridinyl]methyl]pyridin-2-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]-2-pyridinyl]methyl]pyridin-2-amine is c1ccc(NCc2cccc(OCC3CCC4CN(c5noc6ccccc56)CCN4C3)n2)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]-2-pyridinyl]methyl]pyridin-2-amine?
The InChIKey is ZXGNJOABCWDJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-2-8-24-23(7-1)27(31-35-24)33-15-14-32-17-20(11-12-22(32)18-33)19-34-26-10-5-6-21(30-26)16-29-25-9-3-4-13-28-25/h1-10,13,20,22H,11-12,14-19H2,(H,28,29).
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]-2-pyridinyl]methyl]pyridin-2-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]-2-pyridinyl]methyl]pyridin-2-amine has a molecular weight of 470.58 g/mol, XLogP of 4.21, 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]-2-pyridinyl]methyl]pyridin-2-amine is sourced from PubChem (CID 69290518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).