17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene

C38H23N5Po — CID 145022155

About 17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene

17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene (PubChem CID 145022155) has the molecular formula C38H23N5Po and a molecular weight of 758.64 g/mol. Its IUPAC name is 17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene.

Molecular Properties

• Compound Name: 17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene
• PubChem CID: 145022155
• Molecular Formula: C38H23N5Po
• Molecular Weight: 758.64 g/mol
• Exact Mass: 758.18
• IUPAC Name: 17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene
• SMILES: c1ccc(-c2cnn(-c3ccc4c5ccccc5n5c4c3[Po]c3c-5ccc4c5ccccc5n(-c5ccccn5)c34)c2)cc1
• InChI: InChI=1S/C38H23N5.Po/c1-2-10-26(11-3-1)27-24-40-41(25-27)28-17-19-32-30-12-4-6-14-34(30)42(36(32)22-28)29-18-20-33-31-13-5-7-15-35(31)43(37(33)23-29)38-16-8-9-21-39-38;/h1-21,24-25H
• InChIKey: FHNRUQPGMSZNNC-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 40.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.64
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene?

The IUPAC name of 17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene (CID 145022155) is 17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene.

What is the SMILES notation for 17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene?

The canonical SMILES for 17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene is c1ccc(-c2cnn(-c3ccc4c5ccccc5n5c4c3[Po]c3c-5ccc4c5ccccc5n(-c5ccccn5)c34)c2)cc1.

What is the InChIKey of 17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene?

The InChIKey is FHNRUQPGMSZNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N5.Po/c1-2-10-26(11-3-1)27-24-40-41(25-27)28-17-19-32-30-12-4-6-14-34(30)42(36(32)22-28)29-18-20-33-31-13-5-7-15-35(31)43(37(33)23-29)38-16-8-9-21-39-38;/h1-21,24-25H;.

What are the key properties of 17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene?

17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene has a molecular weight of 758.64 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 17-(4-phenylpyrazol-1-yl)-12-pyridin-2-yl-15λ2-polona-1,12-diazaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene is sourced from PubChem (CID 145022155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).