(7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene

C24H23N7O — CID 67122040

IUPAC(7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
SMILESCC[C@@]12COCCN1c1nc(-c3cccnc3-c3ccccc3)ncc1-n1c(C)nnc12
InChIInChI=1S/C24H23N7O/c1-3-24-15-32-13-12-30(24)22-19(31-16(2)28-29-23(24)31)14-26-21(27-22)18-10-7-11-25-20(18)17-8-5-4-6-9-17/h4-11,14H,3,12-13,15H2,1-2H3/t24-/m0/s1
InChIKeyWAIBRKRXLVYTMF-DEOSSOPVSA-N
MW425.50 g/mol
LogP3.55
Rot. Bonds3

About (7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene

(7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene (PubChem CID 67122040) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is (7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene.

Molecular Properties

Compound Name(7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
PubChem CID67122040
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name(7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
SMILESCC[C@@]12COCCN1c1nc(-c3cccnc3-c3ccccc3)ncc1-n1c(C)nnc12
InChIInChI=1S/C24H23N7O/c1-3-24-15-32-13-12-30(24)22-19(31-16(2)28-29-23(24)31)14-26-21(27-22)18-10-7-11-25-20(18)17-8-5-4-6-9-17/h4-11,14H,3,12-13,15H2,1-2H3/t24-/m0/s1
InChIKeyWAIBRKRXLVYTMF-DEOSSOPVSA-N
XLogP3.55
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene with MolForge

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Related Compounds

1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene
CID 66979625
4-(2-phenyl-5-pyridin-4-ylpyrimidin-4-yl)morpholine
CID 110172397
6a-ethyl-5-methyl-2-(5-phenyl-3H-pyrazol-4-yl)-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one;2-chloro-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one;ethynylbenzene;methane
CID 157147424
2-(2-phenyl-3-pyridinyl)pyrimidine
CID 58421043
(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979399
2-(7,16-diethyl-3-methyl-9-oxa-2,4,5,12,14-pentazatetracyclo[11.5.0.02,6.07,12]octadeca-1(18),3,5,13,15-pentaen-15-yl)-1-(1,3-thiazol-2-yl)ethanone
CID 123145087
4-(5-chloro-2-phenylpyrimidin-4-yl)morpholine
CID 121004493
4-(5-methoxy-2-phenylpyrimidin-4-yl)morpholine
CID 3329093
(7R)-7-ethyl-9-methyl-15-(2-phenylimidazol-1-yl)-2,4,5,9,12,14,16-heptazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
CID 67499363
15-(2-phenylimidazol-1-yl)-7-propan-2-yl-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
CID 123674276
2,4-bis(4-phenylphenyl)-6-[4-(3-phenyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 156692460
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757

Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene?
The IUPAC name of (7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene (CID 67122040) is (7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene.
What is the SMILES notation for (7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene?
The canonical SMILES for (7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene is CC[C@@]12COCCN1c1nc(-c3cccnc3-c3ccccc3)ncc1-n1c(C)nnc12.
What is the InChIKey of (7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene?
The InChIKey is WAIBRKRXLVYTMF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23N7O/c1-3-24-15-32-13-12-30(24)22-19(31-16(2)28-29-23(24)31)14-26-21(27-22)18-10-7-11-25-20(18)17-8-5-4-6-9-17/h4-11,14H,3,12-13,15H2,1-2H3/t24-/m0/s1.
What are the key properties of (7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene?
(7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene has a molecular weight of 425.50 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene is sourced from PubChem (CID 67122040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).