15-(4-cyclopropylimidazol-1-yl)-10-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

C24H23N7O2 — CID 155097358

IUPAC15-(4-cyclopropylimidazol-1-yl)-10-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
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCOCc2ccc(-n3cnc(C4CC4)c3)cc21
InChIInChI=1S/C24H23N7O2/c32-24-19-11-18(31-12-21(25-14-31)16-5-6-16)8-7-17(19)13-33-10-2-9-30-15-26-29-23(30)20-3-1-4-22(27-20)28-24/h1,3-4,7-8,11-12,14-16H,2,5-6,9-10,13H2,(H,27,28,32)
InChIKeyBZPMXVWKCZHOKD-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.58
Rot. Bonds2

About 15-(4-cyclopropylimidazol-1-yl)-10-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-(4-cyclopropylimidazol-1-yl)-10-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 155097358) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 15-(4-cyclopropylimidazol-1-yl)-10-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-(4-cyclopropylimidazol-1-yl)-10-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 CID155097358
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name15-(4-cyclopropylimidazol-1-yl)-10-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
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCOCc2ccc(-n3cnc(C4CC4)c3)cc21
InChIInChI=1S/C24H23N7O2/c32-24-19-11-18(31-12-21(25-14-31)16-5-6-16)8-7-17(19)13-33-10-2-9-30-15-26-29-23(30)20-3-1-4-22(27-20)28-24/h1,3-4,7-8,11-12,14-16H,2,5-6,9-10,13H2,(H,27,28,32)
InChIKeyBZPMXVWKCZHOKD-UHFFFAOYSA-N
XLogP3.58
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 15-(4-cyclopropylimidazol-1-yl)-10-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-(4-cyclopropylimidazol-1-yl)-10-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-(4-cyclopropylimidazol-1-yl)-10-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 155097358) is 15-(4-cyclopropylimidazol-1-yl)-10-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-(4-cyclopropylimidazol-1-yl)-10-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-(4-cyclopropylimidazol-1-yl)-10-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 O=C1Nc2cccc(n2)-c2nncn2CCCOCc2ccc(-n3cnc(C4CC4)c3)cc21.
What is the InChIKey of 15-(4-cyclopropylimidazol-1-yl)-10-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 BZPMXVWKCZHOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c32-24-19-11-18(31-12-21(25-14-31)16-5-6-16)8-7-17(19)13-33-10-2-9-30-15-26-29-23(30)20-3-1-4-22(27-20)28-24/h1,3-4,7-8,11-12,14-16H,2,5-6,9-10,13H2,(H,27,28,32).
What are the key properties of 15-(4-cyclopropylimidazol-1-yl)-10-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-(4-cyclopropylimidazol-1-yl)-10-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 441.50 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-cyclopropylimidazol-1-yl)-10-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 155097358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).