15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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

C27H26N6O2 — CID 138458446

IUPAC15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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
SMILESCC1CCCOc2ccc(-c3ccc(C4CC4)nc3)cc2C(=O)Nc2cccc(n2)-c2nncn21
InChIInChI=1S/C27H26N6O2/c1-17-4-3-13-35-24-12-10-19(20-9-11-22(28-15-20)18-7-8-18)14-21(24)27(34)31-25-6-2-5-23(30-25)26-32-29-16-33(17)26/h2,5-6,9-12,14-18H,3-4,7-8,13H2,1H3,(H,30,31,34)
InChIKeyCNEINLCQIUEDBM-UHFFFAOYSA-N
MW466.55 g/mol
LogP5.27
Rot. Bonds2

About 15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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

15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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 138458446) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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 Name15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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 CID138458446
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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
SMILESCC1CCCOc2ccc(-c3ccc(C4CC4)nc3)cc2C(=O)Nc2cccc(n2)-c2nncn21
InChIInChI=1S/C27H26N6O2/c1-17-4-3-13-35-24-12-10-19(20-9-11-22(28-15-20)18-7-8-18)14-21(24)27(34)31-25-6-2-5-23(30-25)26-32-29-16-33(17)26/h2,5-6,9-12,14-18H,3-4,7-8,13H2,1H3,(H,30,31,34)
InChIKeyCNEINLCQIUEDBM-UHFFFAOYSA-N
XLogP5.27
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.55
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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 15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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 15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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 138458446) is 15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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 15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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 15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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 CC1CCCOc2ccc(-c3ccc(C4CC4)nc3)cc2C(=O)Nc2cccc(n2)-c2nncn21.
What is the InChIKey of 15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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 CNEINLCQIUEDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-17-4-3-13-35-24-12-10-19(20-9-11-22(28-15-20)18-7-8-18)14-21(24)27(34)31-25-6-2-5-23(30-25)26-32-29-16-33(17)26/h2,5-6,9-12,14-18H,3-4,7-8,13H2,1H3,(H,30,31,34).
What are the key properties of 15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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?
15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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 466.55 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(6-cyclopropyl-3-pyridinyl)-7-methyl-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 138458446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).