2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione

C22H21N5O3 — CID 135272538

IUPAC2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione
SMILESC=CC(=O)N1CC(n2cc3c(cc2=O)C(=O)N(c2c(C)ccc4[nH]ncc24)CC3)C1
InChIInChI=1S/C22H21N5O3/c1-3-19(28)25-11-15(12-25)27-10-14-6-7-26(22(30)16(14)8-20(27)29)21-13(2)4-5-18-17(21)9-23-24-18/h3-5,8-10,15H,1,6-7,11-12H2,2H3,(H,23,24)
InChIKeyXLMVGHCERAYHBW-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.81
Rot. Bonds3

About 2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione

2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione (PubChem CID 135272538) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione.

Molecular Properties

Compound Name2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione
PubChem CID135272538
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione
SMILESC=CC(=O)N1CC(n2cc3c(cc2=O)C(=O)N(c2c(C)ccc4[nH]ncc24)CC3)C1
InChIInChI=1S/C22H21N5O3/c1-3-19(28)25-11-15(12-25)27-10-14-6-7-26(22(30)16(14)8-20(27)29)21-13(2)4-5-18-17(21)9-23-24-18/h3-5,8-10,15H,1,6-7,11-12H2,2H3,(H,23,24)
InChIKeyXLMVGHCERAYHBW-UHFFFAOYSA-N
XLogP1.81
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one
CID 135272597
5-(5-methyl-1H-indazol-4-yl)-1-(1-prop-2-enoylazetidin-3-yl)imidazo[4,5-c]pyridin-4-one
CID 135272455
3-(5-methyl-1H-indazol-4-yl)-7-(1-prop-2-enoylazetidin-3-yl)-1,4-dihydroquinazolin-2-one
CID 135271253
1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 135280443
7-fluoro-6-(5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 134414133
6-(1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 134492569
6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-isoindole-4-carboxamide
CID 134413141
2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide
CID 134413594
1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 135280527
6-(3-amino-5-methyl-1H-indazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
CID 134414119
1-[3-[3-(5-methyl-1H-indazol-4-yl)isoquinolin-7-yl]azetidin-1-yl]prop-2-en-1-one
CID 135271257
N-methyl-4-(5-methyl-1H-indazol-4-yl)-2-[(1-prop-2-enoylazetidin-3-yl)amino]benzamide
CID 142320809

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The IUPAC name of 2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione (CID 135272538) is 2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione.
What is the SMILES notation for 2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The canonical SMILES for 2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione is C=CC(=O)N1CC(n2cc3c(cc2=O)C(=O)N(c2c(C)ccc4[nH]ncc24)CC3)C1.
What is the InChIKey of 2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The InChIKey is XLMVGHCERAYHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-3-19(28)25-11-15(12-25)27-10-14-6-7-26(22(30)16(14)8-20(27)29)21-13(2)4-5-18-17(21)9-23-24-18/h3-5,8-10,15H,1,6-7,11-12H2,2H3,(H,23,24).
What are the key properties of 2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione?
2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione has a molecular weight of 403.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydro-2,6-naphthyridine-1,7-dione is sourced from PubChem (CID 135272538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).