2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C22H23N5O2 — CID 135637709

IUPAC2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCN1CCN(c2nc3c(c(=O)[nH]2)C(c2cccc4ccccc24)CC(=O)N3)CC1
InChIInChI=1S/C22H23N5O2/c1-26-9-11-27(12-10-26)22-24-20-19(21(29)25-22)17(13-18(28)23-20)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,17H,9-13H2,1H3,(H2,23,24,25,28,29)
InChIKeyUITOVSSVEFEOAD-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.15
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135637709) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135637709
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCN1CCN(c2nc3c(c(=O)[nH]2)C(c2cccc4ccccc24)CC(=O)N3)CC1
InChIInChI=1S/C22H23N5O2/c1-26-9-11-27(12-10-26)22-24-20-19(21(29)25-22)17(13-18(28)23-20)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,17H,9-13H2,1H3,(H2,23,24,25,28,29)
InChIKeyUITOVSSVEFEOAD-UHFFFAOYSA-N
XLogP2.15
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135637709) is 2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is CN1CCN(c2nc3c(c(=O)[nH]2)C(c2cccc4ccccc24)CC(=O)N3)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is UITOVSSVEFEOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-26-9-11-27(12-10-26)22-24-20-19(21(29)25-22)17(13-18(28)23-20)16-8-4-6-14-5-2-3-7-15(14)16/h2-8,17H,9-13H2,1H3,(H2,23,24,25,28,29).
What are the key properties of 2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 389.46 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5-naphthalen-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135637709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).