6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one

C24H23N7O2 — CID 143935907

IUPAC6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one
SMILESO=c1cccc(Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCn3ccnc3-4)cc2)[nH]1
InChIInChI=1S/C24H23N7O2/c32-20-3-1-2-19(27-20)26-17-6-4-16(5-7-17)22-28-21-18(8-10-30-11-9-25-24(21)30)23(29-22)31-12-14-33-15-13-31/h1-7,9,11H,8,10,12-15H2,(H2,26,27,32)
InChIKeyATTKYQHOMKXNEZ-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.83
Rot. Bonds4

About 6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one

6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one (PubChem CID 143935907) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one
PubChem CID143935907
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one
SMILESO=c1cccc(Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCn3ccnc3-4)cc2)[nH]1
InChIInChI=1S/C24H23N7O2/c32-20-3-1-2-19(27-20)26-17-6-4-16(5-7-17)22-28-21-18(8-10-30-11-9-25-24(21)30)23(29-22)31-12-14-33-15-13-31/h1-7,9,11H,8,10,12-15H2,(H2,26,27,32)
InChIKeyATTKYQHOMKXNEZ-UHFFFAOYSA-N
XLogP2.83
TPSA100.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)anilino]-1H-pyrimidine-2,4-dione
CID 59239512
6-[4-[(10aR)-4-[(3S)-3-methylmorpholin-4-yl]-5,6,8,9,10,10a-hexahydropyrimido[5,4-g]indolizin-2-yl]anilino]-1H-pyridin-2-one
CID 67178347
6-[4-[7-acetyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one
CID 67176821
6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one
CID 59634463
6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one
CID 67177758
ethane;1-ethyl-3-[4-(7-ethyl-4-morpholin-4-yl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 143935928
4-[2-(4-chlorophenyl)-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-4-yl]morpholine
CID 139225833
4-[2-(4-chlorophenyl)-5,6-dihydro-[1]benzothiepino[5,4-d]pyrimidin-4-yl]morpholine
CID 139219737
1-cyclopropyl-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 59239107
6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one
CID 67177752
6-[[5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one
CID 67177749
1-cyclobutyl-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 59239364

Frequently Asked Questions

What is the IUPAC name of 6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one?
The IUPAC name of 6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one (CID 143935907) is 6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one is O=c1cccc(Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCn3ccnc3-4)cc2)[nH]1.
What is the InChIKey of 6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one?
The InChIKey is ATTKYQHOMKXNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c32-20-3-1-2-19(27-20)26-17-6-4-16(5-7-17)22-28-21-18(8-10-30-11-9-25-24(21)30)23(29-22)31-12-14-33-15-13-31/h1-7,9,11H,8,10,12-15H2,(H2,26,27,32).
What are the key properties of 6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one?
6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one has a molecular weight of 441.50 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one is sourced from PubChem (CID 143935907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).