12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene

C30H21N5O — CID 163793172

IUPAC12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene
SMILESc1cc(-n2cccn2)cc(-n2c3cc(-n4cccn4)ccc3oc3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H21N5O/c1-3-12-27-25(10-1)26-11-2-4-13-29(26)36-30-15-14-23(34-19-7-17-32-34)21-28(30)35(27)24-9-5-8-22(20-24)33-18-6-16-31-33/h1-21H
InChIKeyKUVMCHMHVKLRIX-UHFFFAOYSA-N
MW467.53 g/mol
LogP7.03
Rot. Bonds3

About 12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene

12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene (PubChem CID 163793172) has the molecular formula C30H21N5O and a molecular weight of 467.53 g/mol. Its IUPAC name is 12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene.

Molecular Properties

Compound Name12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene
PubChem CID163793172
Molecular FormulaC30H21N5O
Molecular Weight467.53 g/mol
Exact Mass467.17
IUPAC Name12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene
SMILESc1cc(-n2cccn2)cc(-n2c3cc(-n4cccn4)ccc3oc3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H21N5O/c1-3-12-27-25(10-1)26-11-2-4-13-29(26)36-30-15-14-23(34-19-7-17-32-34)21-28(30)35(27)24-9-5-8-22(20-24)33-18-6-16-31-33/h1-21H
InChIKeyKUVMCHMHVKLRIX-UHFFFAOYSA-N
XLogP7.03
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene?
The IUPAC name of 12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene (CID 163793172) is 12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene.
What is the SMILES notation for 12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene?
The canonical SMILES for 12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene is c1cc(-n2cccn2)cc(-n2c3cc(-n4cccn4)ccc3oc3ccccc3c3ccccc32)c1.
What is the InChIKey of 12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene?
The InChIKey is KUVMCHMHVKLRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5O/c1-3-12-27-25(10-1)26-11-2-4-13-29(26)36-30-15-14-23(34-19-7-17-32-34)21-28(30)35(27)24-9-5-8-22(20-24)33-18-6-16-31-33/h1-21H.
What are the key properties of 12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene?
12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene has a molecular weight of 467.53 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-pyrazol-1-yl-15-(3-pyrazol-1-ylphenyl)-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9(14),10,12,16,18-nonaene is sourced from PubChem (CID 163793172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).