(10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

C23H23N7O2 — CID 142411794

IUPAC(10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESCc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCC[C@H](C)O3)cn1
InChIInChI=1S/C23H23N7O2/c1-15-12-30(13-24-15)17-8-9-20-18(11-17)23(31)27-21-7-3-6-19(26-21)22-28-25-14-29(22)10-4-5-16(2)32-20/h3,6-9,11-14,16H,4-5,10H2,1-2H3,(H,26,27,31)/t16-/m0/s1
InChIKeySGAGVQANEUDFJQ-INIZCTEOSA-N
MW429.48 g/mol
LogP3.65
Rot. Bonds1

About (10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

(10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 142411794) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is (10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.

Molecular Properties

Compound Name(10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
PubChem CID142411794
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name(10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESCc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCC[C@H](C)O3)cn1
InChIInChI=1S/C23H23N7O2/c1-15-12-30(13-24-15)17-8-9-20-18(11-17)23(31)27-21-7-3-6-19(26-21)22-28-25-14-29(22)10-4-5-16(2)32-20/h3,6-9,11-14,16H,4-5,10H2,1-2H3,(H,26,27,31)/t16-/m0/s1
InChIKeySGAGVQANEUDFJQ-INIZCTEOSA-N
XLogP3.65
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The IUPAC name of (10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 142411794) is (10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.
What is the SMILES notation for (10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The canonical SMILES for (10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is Cc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCC[C@H](C)O3)cn1.
What is the InChIKey of (10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The InChIKey is SGAGVQANEUDFJQ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-15-12-30(13-24-15)17-8-9-20-18(11-17)23(31)27-21-7-3-6-19(26-21)22-28-25-14-29(22)10-4-5-16(2)32-20/h3,6-9,11-14,16H,4-5,10H2,1-2H3,(H,26,27,31)/t16-/m0/s1.
What are the key properties of (10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
(10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one has a molecular weight of 429.48 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is sourced from PubChem (CID 142411794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).