[1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide

C23H35N8O3- — CID 142039136

IUPAC[1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide
SMILES[H]/N=C(\C)C(=[N-])CNc1nccn(C(CC)C(=O)NCC(=O)CN2CCN3CCCCC3C2)c1=O
InChIInChI=1S/C23H35N8O3/c1-3-20(31-9-7-26-21(23(31)34)27-13-19(25)16(2)24)22(33)28-12-18(32)15-29-10-11-30-8-5-4-6-17(30)14-29/h7,9,17,20,24H,3-6,8,10-15H2,1-2H3,(H,26,27)(H,28,33)/q-1/b24-16+
InChIKeyRBTGTFFWZYHQES-LFVJCYFKSA-N
MW471.59 g/mol
LogP0.51
Rot. Bonds11

About [1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide

[1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide (PubChem CID 142039136) has the molecular formula C23H35N8O3- and a molecular weight of 471.59 g/mol. Its IUPAC name is [1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide.

Molecular Properties

Compound Name[1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide
PubChem CID142039136
Molecular FormulaC23H35N8O3-
Molecular Weight471.59 g/mol
Exact Mass471.28
IUPAC Name[1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide
SMILES[H]/N=C(\C)C(=[N-])CNc1nccn(C(CC)C(=O)NCC(=O)CN2CCN3CCCCC3C2)c1=O
InChIInChI=1S/C23H35N8O3/c1-3-20(31-9-7-26-21(23(31)34)27-13-19(25)16(2)24)22(33)28-12-18(32)15-29-10-11-30-8-5-4-6-17(30)14-29/h7,9,17,20,24H,3-6,8,10-15H2,1-2H3,(H,26,27)(H,28,33)/q-1/b24-16+
InChIKeyRBTGTFFWZYHQES-LFVJCYFKSA-N
XLogP0.51
TPSA145.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide with MolForge

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Related Compounds

N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-(2,3-diiminobutylamino)-2-oxopyrazin-1-yl]butanamide
CID 88938553
N-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxopropyl]-2-[3-(2,3-diiminobutylamino)-2-oxopyrazin-1-yl]butanamide
CID 142039050
[4-imino-6-[[3-oxo-4-[(2S)-1-oxo-1-[(2-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]pyrazin-2-yl]amino]hexan-3-ylidene]azanide
CID 142039138
N-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]-2-[3-(2,3-diiminobutylamino)-2-oxopyrazin-1-yl]butanamide
CID 142039137
(2S)-2-[3-(3,4-diiminohexylamino)-2-oxopyrazin-1-yl]-N-(2-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 142039139

Frequently Asked Questions

What is the IUPAC name of [1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide?
The IUPAC name of [1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide (CID 142039136) is [1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide.
What is the SMILES notation for [1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide?
The canonical SMILES for [1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide is [H]/N=C(\C)C(=[N-])CNc1nccn(C(CC)C(=O)NCC(=O)CN2CCN3CCCCC3C2)c1=O.
What is the InChIKey of [1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide?
The InChIKey is RBTGTFFWZYHQES-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H35N8O3/c1-3-20(31-9-7-26-21(23(31)34)27-13-19(25)16(2)24)22(33)28-12-18(32)15-29-10-11-30-8-5-4-6-17(30)14-29/h7,9,17,20,24H,3-6,8,10-15H2,1-2H3,(H,26,27)(H,28,33)/q-1/b24-16+.
What are the key properties of [1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide?
[1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide has a molecular weight of 471.59 g/mol, XLogP of 0.51, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[1-[[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]azanide is sourced from PubChem (CID 142039136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).