15-(2-methylpyrimidin-5-yl)-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

C23H21N7O2 — CID 138458360

IUPAC15-(2-methylpyrimidin-5-yl)-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
SMILESCc1ncc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1
InChIInChI=1S/C23H21N7O2/c1-15-24-12-17(13-25-15)16-7-8-20-18(11-16)23(31)28-21-6-4-5-19(27-21)22-29-26-14-30(22)9-2-3-10-32-20/h4-8,11-14H,2-3,9-10H2,1H3,(H,27,28,31)
InChIKeyVYCVXMOLXJUETM-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.53
Rot. Bonds1

About 15-(2-methylpyrimidin-5-yl)-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-(2-methylpyrimidin-5-yl)-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 138458360) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 15-(2-methylpyrimidin-5-yl)-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-(2-methylpyrimidin-5-yl)-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 CID138458360
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name15-(2-methylpyrimidin-5-yl)-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
SMILESCc1ncc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1
InChIInChI=1S/C23H21N7O2/c1-15-24-12-17(13-25-15)16-7-8-20-18(11-16)23(31)28-21-6-4-5-19(27-21)22-29-26-14-30(22)9-2-3-10-32-20/h4-8,11-14H,2-3,9-10H2,1H3,(H,27,28,31)
InChIKeyVYCVXMOLXJUETM-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 15-(2-methylpyrimidin-5-yl)-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-(2-methylpyrimidin-5-yl)-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-(2-methylpyrimidin-5-yl)-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 138458360) is 15-(2-methylpyrimidin-5-yl)-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-(2-methylpyrimidin-5-yl)-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-(2-methylpyrimidin-5-yl)-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 Cc1ncc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1.
What is the InChIKey of 15-(2-methylpyrimidin-5-yl)-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 VYCVXMOLXJUETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-15-24-12-17(13-25-15)16-7-8-20-18(11-16)23(31)28-21-6-4-5-19(27-21)22-29-26-14-30(22)9-2-3-10-32-20/h4-8,11-14H,2-3,9-10H2,1H3,(H,27,28,31).
What are the key properties of 15-(2-methylpyrimidin-5-yl)-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-(2-methylpyrimidin-5-yl)-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 427.47 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-methylpyrimidin-5-yl)-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 138458360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).