azetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone

C24H26N4O — CID 12002988

IUPACazetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone
SMILESCc1nc2c3c(c(C(=O)N4CCC4)cn2c1C)CCC1(Cc2ccccc2C1)N3
InChIInChI=1S/C24H26N4O/c1-15-16(2)28-14-20(23(29)27-10-5-11-27)19-8-9-24(26-21(19)22(28)25-15)12-17-6-3-4-7-18(17)13-24/h3-4,6-7,14,26H,5,8-13H2,1-2H3
InChIKeyCWJVSFYVIHSKHV-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.69
Rot. Bonds1

About azetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone

azetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone (PubChem CID 12002988) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is azetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone.

Molecular Properties

Compound Nameazetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone
PubChem CID12002988
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Nameazetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone
SMILESCc1nc2c3c(c(C(=O)N4CCC4)cn2c1C)CCC1(Cc2ccccc2C1)N3
InChIInChI=1S/C24H26N4O/c1-15-16(2)28-14-20(23(29)27-10-5-11-27)19-8-9-24(26-21(19)22(28)25-15)12-17-6-3-4-7-18(17)13-24/h3-4,6-7,14,26H,5,8-13H2,1-2H3
InChIKeyCWJVSFYVIHSKHV-UHFFFAOYSA-N
XLogP3.69
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone?
The IUPAC name of azetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone (CID 12002988) is azetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone.
What is the SMILES notation for azetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone?
The canonical SMILES for azetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone is Cc1nc2c3c(c(C(=O)N4CCC4)cn2c1C)CCC1(Cc2ccccc2C1)N3.
What is the InChIKey of azetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone?
The InChIKey is CWJVSFYVIHSKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-15-16(2)28-14-20(23(29)27-10-5-11-27)19-8-9-24(26-21(19)22(28)25-15)12-17-6-3-4-7-18(17)13-24/h3-4,6-7,14,26H,5,8-13H2,1-2H3.
What are the key properties of azetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone?
azetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone is sourced from PubChem (CID 12002988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).