7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one

C24H31N7O — CID 168999008

IUPAC7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
SMILESCCC/N=C/C(=C\N)c1cnc2c(c1)CN(C1Nn3c(nc(C)cc3=O)C(C)=C1C)CC2
InChIInChI=1S/C24H31N7O/c1-5-7-26-12-20(11-25)18-10-19-14-30(8-6-21(19)27-13-18)24-17(4)16(3)23-28-15(2)9-22(32)31(23)29-24/h9-13,24,29H,5-8,14,25H2,1-4H3/b20-11+,26-12+
InChIKeyVLGVCRIIDPBCMC-XDLRHYLFSA-N
MW433.56 g/mol
LogP2.46
Rot. Bonds5

About 7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one

7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one (PubChem CID 168999008) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is 7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
PubChem CID168999008
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC Name7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one
SMILESCCC/N=C/C(=C\N)c1cnc2c(c1)CN(C1Nn3c(nc(C)cc3=O)C(C)=C1C)CC2
InChIInChI=1S/C24H31N7O/c1-5-7-26-12-20(11-25)18-10-19-14-30(8-6-21(19)27-13-18)24-17(4)16(3)23-28-15(2)9-22(32)31(23)29-24/h9-13,24,29H,5-8,14,25H2,1-4H3/b20-11+,26-12+
InChIKeyVLGVCRIIDPBCMC-XDLRHYLFSA-N
XLogP2.46
TPSA101.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The IUPAC name of 7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one (CID 168999008) is 7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one.
What is the SMILES notation for 7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The canonical SMILES for 7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one is CCC/N=C/C(=C\N)c1cnc2c(c1)CN(C1Nn3c(nc(C)cc3=O)C(C)=C1C)CC2.
What is the InChIKey of 7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
The InChIKey is VLGVCRIIDPBCMC-XDLRHYLFSA-N. The full InChI is InChI=1S/C24H31N7O/c1-5-7-26-12-20(11-25)18-10-19-14-30(8-6-21(19)27-13-18)24-17(4)16(3)23-28-15(2)9-22(32)31(23)29-24/h9-13,24,29H,5-8,14,25H2,1-4H3/b20-11+,26-12+.
What are the key properties of 7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one?
7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one has a molecular weight of 433.56 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,8,9-trimethyl-6,7-dihydropyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 168999008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).