tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate

C30H38N6O4 — CID 142374678

IUPACtert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate
SMILESCC(=O)c1c(C)c2cnc(Nc3cnc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2n(C2CCCC2)c1=O
InChIInChI=1S/C30H38N6O4/c1-18-22-15-32-25(14-24(22)36(21-8-6-7-9-21)28(38)27(18)19(2)37)34-26-17-31-23(16-33-26)20-10-12-35(13-11-20)29(39)40-30(3,4)5/h14-17,20-21H,6-13H2,1-5H3,(H,32,33,34)
InChIKeyWMYNIRBTLZALCN-UHFFFAOYSA-N
MW546.67 g/mol
LogP5.67
Rot. Bonds5

About tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate (PubChem CID 142374678) has the molecular formula C30H38N6O4 and a molecular weight of 546.67 g/mol. Its IUPAC name is tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate
PubChem CID142374678
Molecular FormulaC30H38N6O4
Molecular Weight546.67 g/mol
Exact Mass546.30
IUPAC Nametert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate
SMILESCC(=O)c1c(C)c2cnc(Nc3cnc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2n(C2CCCC2)c1=O
InChIInChI=1S/C30H38N6O4/c1-18-22-15-32-25(14-24(22)36(21-8-6-7-9-21)28(38)27(18)19(2)37)34-26-17-31-23(16-33-26)20-10-12-35(13-11-20)29(39)40-30(3,4)5/h14-17,20-21H,6-13H2,1-5H3,(H,32,33,34)
InChIKeyWMYNIRBTLZALCN-UHFFFAOYSA-N
XLogP5.67
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-acetyl-1-cyclopentyl-7-[[5-(4-cyclopentylpiperazin-1-yl)pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one
CID 142374730
3-acetyl-1-cyclopentyl-7-[[5-[(3S)-3,4-dimethylpiperazin-1-yl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one
CID 146188545
3-acetyl-1-cyclopentyl-7-[[5-[(3,4-dimethylpiperazin-1-yl)methyl]pyrazin-2-yl]amino]-4-methyl-1,6-naphthyridin-2-one
CID 175631027
tert-butyl 4-(6-acetyl-5-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)piperidine-1-carboxylate
CID 155219799
3-acetyl-1-cyclopentyl-7-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-4-methyl-1,6-naphthyridin-2-one
CID 155210486
tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate
CID 129072579
tert-butyl 4-[(6Z)-6-(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)imino-1-hydroxy-3-pyridinyl]piperazine-1-carboxylate
CID 155664325
tert-butyl 4-[4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 129072592
tert-butyl 4-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]butanoate
CID 176736905
methyl 8-cyclopentyl-5-methyl-2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 11376429
bis(6-acetyl-8-cyclopentyl-2,5-dimethylpyrido[2,3-d]pyrimidin-7-one);ethane
CID 166112371
4-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]benzoic acid
CID 58608839

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate (CID 142374678) is tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate is CC(=O)c1c(C)c2cnc(Nc3cnc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc2n(C2CCCC2)c1=O.
What is the InChIKey of tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate?
The InChIKey is WMYNIRBTLZALCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O4/c1-18-22-15-32-25(14-24(22)36(21-8-6-7-9-21)28(38)27(18)19(2)37)34-26-17-31-23(16-33-26)20-10-12-35(13-11-20)29(39)40-30(3,4)5/h14-17,20-21H,6-13H2,1-5H3,(H,32,33,34).
What are the key properties of tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate has a molecular weight of 546.67 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[(3-acetyl-1-cyclopentyl-4-methyl-2-oxo-1,6-naphthyridin-7-yl)amino]pyrazin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 142374678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).