9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C22H19N7O2 — CID 118329857

IUPAC9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCNCC2)c2c1cnc1ccc(-c3ccc4[nH]ncc4c3)nc12
InChIInChI=1S/C22H19N7O2/c30-21-15-11-24-18-4-3-16(12-1-2-17-13(9-12)10-25-28-17)26-19(18)20(15)29(22(31)27-21)14-5-7-23-8-6-14/h1-4,9-11,14,23H,5-8H2,(H,25,28)(H,27,30,31)
InChIKeyKYHQVRLSUIZLMG-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.10
Rot. Bonds2

About 9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione

9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 118329857) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID118329857
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC Name9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCNCC2)c2c1cnc1ccc(-c3ccc4[nH]ncc4c3)nc12
InChIInChI=1S/C22H19N7O2/c30-21-15-11-24-18-4-3-16(12-1-2-17-13(9-12)10-25-28-17)26-19(18)20(15)29(22(31)27-21)14-5-7-23-8-6-14/h1-4,9-11,14,23H,5-8H2,(H,25,28)(H,27,30,31)
InChIKeyKYHQVRLSUIZLMG-UHFFFAOYSA-N
XLogP2.10
TPSA121.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione with MolForge

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Related Compounds

9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329014
N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide
CID 118329877
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
9-(6-amino-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione;bis(9-[6-(hydroxymethyl)-3-pyridinyl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione);9-(6-methyl-3-pyridinyl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 161369901
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
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-(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
9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089218
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-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089251
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

Frequently Asked Questions

What is the IUPAC name of 9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 118329857) is 9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione is O=c1[nH]c(=O)n(C2CCNCC2)c2c1cnc1ccc(-c3ccc4[nH]ncc4c3)nc12.
What is the InChIKey of 9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is KYHQVRLSUIZLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c30-21-15-11-24-18-4-3-16(12-1-2-17-13(9-12)10-25-28-17)26-19(18)20(15)29(22(31)27-21)14-5-7-23-8-6-14/h1-4,9-11,14,23H,5-8H2,(H,25,28)(H,27,30,31).
What are the key properties of 9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 413.44 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1H-indazol-5-yl)-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 118329857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).