11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

C38H26N4 — CID 140683539

IUPAC11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESc1ccc(-c2cnn(-c3ccc4c(c3)N(c3cccc(-c5ccccn5)c3)c3ccccc3-c3ccccc3-4)c2)cc1
InChIInChI=1S/C38H26N4/c1-2-11-27(12-3-1)29-25-40-41(26-29)30-20-21-35-33-16-5-4-15-32(33)34-17-6-7-19-37(34)42(38(35)24-30)31-14-10-13-28(23-31)36-18-8-9-22-39-36/h1-26H
InChIKeyFODUPTXPWVJPSO-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.72
Rot. Bonds4

About 11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (PubChem CID 140683539) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

Molecular Properties

Compound Name11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
PubChem CID140683539
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESc1ccc(-c2cnn(-c3ccc4c(c3)N(c3cccc(-c5ccccn5)c3)c3ccccc3-c3ccccc3-4)c2)cc1
InChIInChI=1S/C38H26N4/c1-2-11-27(12-3-1)29-25-40-41(26-29)30-20-21-35-33-16-5-4-15-32(33)34-17-6-7-19-37(34)42(38(35)24-30)31-14-10-13-28(23-31)36-18-8-9-22-39-36/h1-26H
InChIKeyFODUPTXPWVJPSO-UHFFFAOYSA-N
XLogP9.72
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene with MolForge

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Related Compounds

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4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine
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8,14-diphenyl-4,18-dipyridin-2-yl-1,8,14-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
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Frequently Asked Questions

What is the IUPAC name of 11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The IUPAC name of 11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (CID 140683539) is 11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.
What is the SMILES notation for 11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The canonical SMILES for 11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is c1ccc(-c2cnn(-c3ccc4c(c3)N(c3cccc(-c5ccccn5)c3)c3ccccc3-c3ccccc3-4)c2)cc1.
What is the InChIKey of 11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The InChIKey is FODUPTXPWVJPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-2-11-27(12-3-1)29-25-40-41(26-29)30-20-21-35-33-16-5-4-15-32(33)34-17-6-7-19-37(34)42(38(35)24-30)31-14-10-13-28(23-31)36-18-8-9-22-39-36/h1-26H.
What are the key properties of 11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene has a molecular weight of 538.65 g/mol, XLogP of 9.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-phenylpyrazol-1-yl)-14-(3-pyridin-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 140683539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).