1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C24H25N5O2S — CID 129089251

IUPAC1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESC=C(C(C)C)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccsc5)nc4c32)CC1
InChIInChI=1S/C24H25N5O2S/c1-14(2)15(3)28-9-6-17(7-10-28)29-22-18(23(30)27-24(29)31)12-25-20-5-4-19(26-21(20)22)16-8-11-32-13-16/h4-5,8,11-14,17H,3,6-7,9-10H2,1-2H3,(H,27,30,31)
InChIKeySCOSESXRIPOSSV-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.17
Rot. Bonds4

About 1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione

1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 129089251) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID129089251
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESC=C(C(C)C)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccsc5)nc4c32)CC1
InChIInChI=1S/C24H25N5O2S/c1-14(2)15(3)28-9-6-17(7-10-28)29-22-18(23(30)27-24(29)31)12-25-20-5-4-19(26-21(20)22)16-8-11-32-13-16/h4-5,8,11-14,17H,3,6-7,9-10H2,1-2H3,(H,27,30,31)
InChIKeySCOSESXRIPOSSV-UHFFFAOYSA-N
XLogP4.17
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(2R)-2-nitrosopropanoyl]piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077671
1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 123949458
1-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129088451
1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089229
9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089218
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329048
9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077663
1-[1-(2-methylpropanethioyl)piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129088585
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329924
1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329029
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 162047180
1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077787

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 129089251) is 1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione is C=C(C(C)C)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5ccsc5)nc4c32)CC1.
What is the InChIKey of 1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is SCOSESXRIPOSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-14(2)15(3)28-9-6-17(7-10-28)29-22-18(23(30)27-24(29)31)12-25-20-5-4-19(26-21(20)22)16-8-11-32-13-16/h4-5,8,11-14,17H,3,6-7,9-10H2,1-2H3,(H,27,30,31).
What are the key properties of 1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 447.56 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 129089251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).