(7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

C23H21N7O2 — CID 146396364

IUPAC(7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESC[C@H]1CCCOc2ncc(-c3ccncc3)cc2C(=O)Nc2cccc(n2)-c2nncn21
InChIInChI=1S/C23H21N7O2/c1-15-4-3-11-32-23-18(12-17(13-25-23)16-7-9-24-10-8-16)22(31)28-20-6-2-5-19(27-20)21-29-26-14-30(15)21/h2,5-10,12-15H,3-4,11H2,1H3,(H,27,28,31)/t15-/m0/s1
InChIKeyFTWIOZMBZSUXSP-HNNXBMFYSA-N
MW427.47 g/mol
LogP3.78
Rot. Bonds1

About (7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

(7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 146396364) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is (7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[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(7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
PubChem CID146396364
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name(7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESC[C@H]1CCCOc2ncc(-c3ccncc3)cc2C(=O)Nc2cccc(n2)-c2nncn21
InChIInChI=1S/C23H21N7O2/c1-15-4-3-11-32-23-18(12-17(13-25-23)16-7-9-24-10-8-16)22(31)28-20-6-2-5-19(27-20)21-29-26-14-30(15)21/h2,5-10,12-15H,3-4,11H2,1H3,(H,27,28,31)/t15-/m0/s1
InChIKeyFTWIOZMBZSUXSP-HNNXBMFYSA-N
XLogP3.78
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[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 (7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[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 (7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 146396364) is (7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[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 (7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[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 (7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is C[C@H]1CCCOc2ncc(-c3ccncc3)cc2C(=O)Nc2cccc(n2)-c2nncn21.
What is the InChIKey of (7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The InChIKey is FTWIOZMBZSUXSP-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-15-4-3-11-32-23-18(12-17(13-25-23)16-7-9-24-10-8-16)22(31)28-20-6-2-5-19(27-20)21-29-26-14-30(15)21/h2,5-10,12-15H,3-4,11H2,1H3,(H,27,28,31)/t15-/m0/s1.
What are the key properties of (7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
(7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[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 427.47 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-15-pyridin-4-yl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[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 146396364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).