17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one

C22H21N5O — CID 59558361

IUPAC17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one
SMILESCn1c2c(c3c1-c1cc(-c4ccncc4)ncc1CC3)C(=O)NC1(CNC1)C2
InChIInChI=1S/C22H21N5O/c1-27-18-9-22(11-24-12-22)26-21(28)19(18)15-3-2-14-10-25-17(8-16(14)20(15)27)13-4-6-23-7-5-13/h4-8,10,24H,2-3,9,11-12H2,1H3,(H,26,28)
InChIKeyQTSBLWZTJSXLEP-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.88
Rot. Bonds1

About 17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one

17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one (PubChem CID 59558361) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one.

Molecular Properties

Compound Name17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one
PubChem CID59558361
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one
SMILESCn1c2c(c3c1-c1cc(-c4ccncc4)ncc1CC3)C(=O)NC1(CNC1)C2
InChIInChI=1S/C22H21N5O/c1-27-18-9-22(11-24-12-22)26-21(28)19(18)15-3-2-14-10-25-17(8-16(14)20(15)27)13-4-6-23-7-5-13/h4-8,10,24H,2-3,9,11-12H2,1H3,(H,26,28)
InChIKeyQTSBLWZTJSXLEP-UHFFFAOYSA-N
XLogP1.88
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one with MolForge

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Related Compounds

4-(4-methoxyphenyl)spiro[5,13,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10-pentaene-14,3'-azetidine]-12-one
CID 42645947
4-(4-methoxyphenyl)-1'-methylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one
CID 56683316
2-(4-methylpiperazin-1-yl)-5-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzonitrile
CID 59558449
1'-methyl-4-(4-propylphenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
CID 166461534
4-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one
CID 59558672
4-[4-(3-hydroxy-3-methylbutyl)phenyl]spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one;4-(3-hydroxy-3-methylbut-1-ynyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16)-pentaene-14,1'-cyclopropane]-12-one
CID 158106602
tert-butyl 4-(3-methoxyphenyl)-17-methyl-12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-1'-carboxylate;tert-butyl 4-(3-methoxyphenyl)-12-oxospiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-1'-carboxylate
CID 160551578
3-pyridin-4-yl-5,7-dihydrocyclopenta[c]pyridin-6-one
CID 160959494
4-chlorospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one;4-(5-fluoro-3-pyridinyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one
CID 159815317
ethyl 3-(12-oxospiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-4-yl)benzoate
CID 59558357
4-pyrimidin-5-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
CID 59558634
tert-butyl 4-[5-(2-methoxyethoxy)-3-pyridinyl]-12-oxospiro[5,13,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10-pentaene-14,3'-azetidine]-1'-carboxylate;4-[5-(2-methoxyethoxy)-3-pyridinyl]spiro[5,13,16,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10-pentaene-14,3'-azetidine]-12-one
CID 160649667

Frequently Asked Questions

What is the IUPAC name of 17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one?
The IUPAC name of 17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one (CID 59558361) is 17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one.
What is the SMILES notation for 17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one?
The canonical SMILES for 17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one is Cn1c2c(c3c1-c1cc(-c4ccncc4)ncc1CC3)C(=O)NC1(CNC1)C2.
What is the InChIKey of 17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one?
The InChIKey is QTSBLWZTJSXLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-27-18-9-22(11-24-12-22)26-21(28)19(18)15-3-2-14-10-25-17(8-16(14)20(15)27)13-4-6-23-7-5-13/h4-8,10,24H,2-3,9,11-12H2,1H3,(H,26,28).
What are the key properties of 17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one?
17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one has a molecular weight of 371.44 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyl-4-pyridin-4-ylspiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,3'-azetidine]-12-one is sourced from PubChem (CID 59558361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).