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]cyclopropanamine

C25H31N5O2 — CID 69290054

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]cyclopropanamine
SMILESc1ccc2c(N3CCN4CC(COc5ccc(CNC6CC6)cn5)CCC4C3)noc2c1
InChIInChI=1S/C25H31N5O2/c1-2-4-23-22(3-1)25(28-32-23)30-12-11-29-15-19(5-9-21(29)16-30)17-31-24-10-6-18(14-27-24)13-26-20-7-8-20/h1-4,6,10,14,19-21,26H,5,7-9,11-13,15-17H2
InChIKeyDEBUZSUIOUEOEL-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.45
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]cyclopropanamine

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]cyclopropanamine (PubChem CID 69290054) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 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]cyclopropanamine.

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]cyclopropanamine
PubChem CID69290054
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
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]cyclopropanamine
SMILESc1ccc2c(N3CCN4CC(COc5ccc(CNC6CC6)cn5)CCC4C3)noc2c1
InChIInChI=1S/C25H31N5O2/c1-2-4-23-22(3-1)25(28-32-23)30-12-11-29-15-19(5-9-21(29)16-30)17-31-24-10-6-18(14-27-24)13-26-20-7-8-20/h1-4,6,10,14,19-21,26H,5,7-9,11-13,15-17H2
InChIKeyDEBUZSUIOUEOEL-UHFFFAOYSA-N
XLogP3.45
TPSA66.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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]cyclopropanamine 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]cyclopropanamine?
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]cyclopropanamine (CID 69290054) 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]cyclopropanamine.
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]cyclopropanamine?
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]cyclopropanamine is c1ccc2c(N3CCN4CC(COc5ccc(CNC6CC6)cn5)CCC4C3)noc2c1.
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]cyclopropanamine?
The InChIKey is DEBUZSUIOUEOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-2-4-23-22(3-1)25(28-32-23)30-12-11-29-15-19(5-9-21(29)16-30)17-31-24-10-6-18(14-27-24)13-26-20-7-8-20/h1-4,6,10,14,19-21,26H,5,7-9,11-13,15-17H2.
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]cyclopropanamine?
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]cyclopropanamine has a molecular weight of 433.56 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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]cyclopropanamine is sourced from PubChem (CID 69290054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).