2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one

C22H21N5O — CID 135900697

IUPAC2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCN1CCN(c2nc3nccc(-c4ccc5ccccc5c4)c3c(=O)[nH]2)CC1
InChIInChI=1S/C22H21N5O/c1-26-10-12-27(13-11-26)22-24-20-19(21(28)25-22)18(8-9-23-20)17-7-6-15-4-2-3-5-16(15)14-17/h2-9,14H,10-13H2,1H3,(H,23,24,25,28)
InChIKeyAYVWFPRMHAERGN-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.89
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one

2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135900697) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135900697
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCN1CCN(c2nc3nccc(-c4ccc5ccccc5c4)c3c(=O)[nH]2)CC1
InChIInChI=1S/C22H21N5O/c1-26-10-12-27(13-11-26)22-24-20-19(21(28)25-22)18(8-9-23-20)17-7-6-15-4-2-3-5-16(15)14-17/h2-9,14H,10-13H2,1H3,(H,23,24,25,28)
InChIKeyAYVWFPRMHAERGN-UHFFFAOYSA-N
XLogP2.89
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Amg-548
CID 11167112
Imnopitant
CID 9808518
N-{4-[(6-Oxo-5,6-Dihydrobenzo[c][1,8]naphthyridin-1-Yl)amino]phenyl}benzamide
CID 44189332
2-Ethyl-9-methyl-13-[2-(naphthalen-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470737
5-Chloro-2-ethyl-9-methyl-13-[2-(naphthalen-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470739
2-Ethyl-5-fluoro-9-methyl-13-[2-(naphthalen-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470740
N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide
CID 10448986
4-[(3-{[4-(Pyridin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132613
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methylpyridin-2-yl)nicotinamide
CID 49800159
N-{(3-Endo)-8-[5-(Benzylcarbamoyl)pyridin-2-Yl]-8-Azabicyclo[3.2.1]oct-3-Yl}-2,5-Dimethylbenzene-1,4-Dicarboxamide
CID 60147024
N-(2-fluorophenyl)-1-(piperidin-1-yl)isoquinoline-4-carboxamide
CID 16031303

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135900697) is 2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one is CN1CCN(c2nc3nccc(-c4ccc5ccccc5c4)c3c(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is AYVWFPRMHAERGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-26-10-12-27(13-11-26)22-24-20-19(21(28)25-22)18(8-9-23-20)17-7-6-15-4-2-3-5-16(15)14-17/h2-9,14H,10-13H2,1H3,(H,23,24,25,28).
What are the key properties of 2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 371.44 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5-naphthalen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135900697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).