15-(2-propan-2-ylpyrazol-3-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

C24H25N7O2 — CID 138458444

IUPAC15-(2-propan-2-ylpyrazol-3-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
SMILESCC(C)n1nccc1-c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2
InChIInChI=1S/C24H25N7O2/c1-16(2)31-20(10-11-26-31)17-8-9-21-18(14-17)24(32)28-22-7-5-6-19(27-22)23-29-25-15-30(23)12-3-4-13-33-21/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,27,28,32)
InChIKeyRTBQCTAXWYNTIO-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.21
Rot. Bonds2

About 15-(2-propan-2-ylpyrazol-3-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-propan-2-ylpyrazol-3-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 138458444) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 15-(2-propan-2-ylpyrazol-3-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-propan-2-ylpyrazol-3-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 CID138458444
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name15-(2-propan-2-ylpyrazol-3-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
SMILESCC(C)n1nccc1-c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2
InChIInChI=1S/C24H25N7O2/c1-16(2)31-20(10-11-26-31)17-8-9-21-18(14-17)24(32)28-22-7-5-6-19(27-22)23-29-25-15-30(23)12-3-4-13-33-21/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,27,28,32)
InChIKeyRTBQCTAXWYNTIO-UHFFFAOYSA-N
XLogP4.21
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 15-(2-propan-2-ylpyrazol-3-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-propan-2-ylpyrazol-3-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-propan-2-ylpyrazol-3-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 138458444) is 15-(2-propan-2-ylpyrazol-3-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-propan-2-ylpyrazol-3-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-propan-2-ylpyrazol-3-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 CC(C)n1nccc1-c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2.
What is the InChIKey of 15-(2-propan-2-ylpyrazol-3-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 RTBQCTAXWYNTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-16(2)31-20(10-11-26-31)17-8-9-21-18(14-17)24(32)28-22-7-5-6-19(27-22)23-29-25-15-30(23)12-3-4-13-33-21/h5-11,14-16H,3-4,12-13H2,1-2H3,(H,27,28,32).
What are the key properties of 15-(2-propan-2-ylpyrazol-3-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-propan-2-ylpyrazol-3-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 443.51 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-propan-2-ylpyrazol-3-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 138458444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).