15-(4-cyclopropylimidazol-1-yl)-14-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

C25H25N7O2 — CID 138458399

IUPAC15-(4-cyclopropylimidazol-1-yl)-14-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
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2
InChIInChI=1S/C25H25N7O2/c1-16-11-22-18(12-21(16)32-13-20(26-14-32)17-7-8-17)25(33)29-23-6-4-5-19(28-23)24-30-27-15-31(24)9-2-3-10-34-22/h4-6,11-15,17H,2-3,7-10H2,1H3,(H,28,29,33)
InChIKeyYTKFXWZXMYJCNC-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.14
Rot. Bonds2

About 15-(4-cyclopropylimidazol-1-yl)-14-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-(4-cyclopropylimidazol-1-yl)-14-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 138458399) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 15-(4-cyclopropylimidazol-1-yl)-14-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-(4-cyclopropylimidazol-1-yl)-14-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 CID138458399
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name15-(4-cyclopropylimidazol-1-yl)-14-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
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2
InChIInChI=1S/C25H25N7O2/c1-16-11-22-18(12-21(16)32-13-20(26-14-32)17-7-8-17)25(33)29-23-6-4-5-19(28-23)24-30-27-15-31(24)9-2-3-10-34-22/h4-6,11-15,17H,2-3,7-10H2,1H3,(H,28,29,33)
InChIKeyYTKFXWZXMYJCNC-UHFFFAOYSA-N
XLogP4.14
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 15-(4-cyclopropylimidazol-1-yl)-14-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-(4-cyclopropylimidazol-1-yl)-14-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-(4-cyclopropylimidazol-1-yl)-14-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 138458399) is 15-(4-cyclopropylimidazol-1-yl)-14-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-(4-cyclopropylimidazol-1-yl)-14-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-(4-cyclopropylimidazol-1-yl)-14-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 Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2.
What is the InChIKey of 15-(4-cyclopropylimidazol-1-yl)-14-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 YTKFXWZXMYJCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-16-11-22-18(12-21(16)32-13-20(26-14-32)17-7-8-17)25(33)29-23-6-4-5-19(28-23)24-30-27-15-31(24)9-2-3-10-34-22/h4-6,11-15,17H,2-3,7-10H2,1H3,(H,28,29,33).
What are the key properties of 15-(4-cyclopropylimidazol-1-yl)-14-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-(4-cyclopropylimidazol-1-yl)-14-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 455.52 g/mol, XLogP of 4.14, 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)-14-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 138458399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).