(3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid

C25H31N7O3 — CID 175428096

IUPAC(3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid
SMILESCCc1cc2ncc(CN3CCN(c4ccc(N[C@@H]5CCN(C(=O)O)C5)nc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C25H31N7O3/c1-2-18-12-21-22(29-24(18)33)11-17(13-26-21)15-30-7-9-31(10-8-30)20-3-4-23(27-14-20)28-19-5-6-32(16-19)25(34)35/h3-4,11-14,19H,2,5-10,15-16H2,1H3,(H,27,28)(H,29,33)(H,34,35)/t19-/m1/s1
InChIKeyHSKLDRZECPROQV-LJQANCHMSA-N
MW477.57 g/mol
LogP2.37
Rot. Bonds6

About (3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid

(3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid (PubChem CID 175428096) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is (3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid
PubChem CID175428096
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC Name(3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid
SMILESCCc1cc2ncc(CN3CCN(c4ccc(N[C@@H]5CCN(C(=O)O)C5)nc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C25H31N7O3/c1-2-18-12-21-22(29-24(18)33)11-17(13-26-21)15-30-7-9-31(10-8-30)20-3-4-23(27-14-20)28-19-5-6-32(16-19)25(34)35/h3-4,11-14,19H,2,5-10,15-16H2,1H3,(H,27,28)(H,29,33)(H,34,35)/t19-/m1/s1
InChIKeyHSKLDRZECPROQV-LJQANCHMSA-N
XLogP2.37
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid with MolForge

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Related Compounds

trans-(1R,2S)-N-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 172538757
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
6-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-3-carboxamide
CID 170311157
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N',N'-dimethylpyridine-2-carbohydrazide
CID 178131848
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
CID 178131901
3-ethyl-7-[[4-[6-(2-methylpropanoyl)-3-pyridinyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one;molecular hydrogen
CID 176581391
N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide
CID 166088908
3-ethyl-7-[[4-[4-(1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 166088870
7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 177022356
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-fluoro-N-(trideuteriomethyl)benzamide
CID 166082491
3-ethyl-7-[(4-imidazo[1,5-a]pyridin-6-ylpiperazin-1-yl)methyl]-1H-1,5-naphthyridin-2-one
CID 171487996
4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-fluoro-N-pyrrolidin-1-ylbenzamide
CID 178131728

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid (CID 175428096) is (3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid is CCc1cc2ncc(CN3CCN(c4ccc(N[C@@H]5CCN(C(=O)O)C5)nc4)CC3)cc2[nH]c1=O.
What is the InChIKey of (3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid?
The InChIKey is HSKLDRZECPROQV-LJQANCHMSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-2-18-12-21-22(29-24(18)33)11-17(13-26-21)15-30-7-9-31(10-8-30)20-3-4-23(27-14-20)28-19-5-6-32(16-19)25(34)35/h3-4,11-14,19H,2,5-10,15-16H2,1H3,(H,27,28)(H,29,33)(H,34,35)/t19-/m1/s1.
What are the key properties of (3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid?
(3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid has a molecular weight of 477.57 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175428096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).