[5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid

C116H108BF2N27O5 — CID 158586376

About [5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid

[5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid (PubChem CID 158586376) has the molecular formula C116H108BF2N27O5 and a molecular weight of 2009.13 g/mol. Its IUPAC name is [5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid.

Molecular Properties

• Compound Name: [5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid
• PubChem CID: 158586376
• Molecular Formula: C116H108BF2N27O5
• Molecular Weight: 2009.13 g/mol
• Exact Mass: 2007.91
• IUPAC Name: [5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid
• SMILES: CC1=NCc2ccc(-c3nc4ccc5n[nH]c(C)c5c4c4c3CCCC4)cc21.Cc1[nH]ncc1-c1nc2c(F)cc3n[nH]c(CO)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3n[nH]c(C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3n[nH]c(CO)c3c2c2c1CCCC2.Fc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4)nc12)CCCC3.OB(O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)o1
• InChI: InChI=1S/C24H22N4.C19H18FN5O.C19H19N5O.C19H19N5.C18H16BN3O3.C17H14FN5/c1-13-19-11-15(7-8-16(19)12-25-13)24-18-6-4-3-5-17(18)23-20(26-24)9-10-21-22(23)14(2)27-28-21;1-9-12(7-21-23-9)18-11-5-3-2-4-10(11)16-17-14(24-25-15(17)8-26)6-13(20)19(16)22-18;1-10-13(8-20-22-10)19-12-5-3-2-4-11(12)17-14(21-19)6-7-15-18(17)16(9-25)24-23-15;1-10-14(9-20-22-10)19-13-6-4-3-5-12(13)18-15(21-19)7-8-16-17(18)11(2)23-24-16;23-19(24)16-8-7-15(25-16)18-11-4-2-1-3-10(11)17-12-9-20-22-13(12)5-6-14(17)21-18;18-13-5-14-12(8-21-23-14)15-10-3-1-2-4-11(10)16(22-17(13)15)9-6-19-20-7-9/h7-11H,3-6,12H2,1-2H3,(H,27,28);6-7,26H,2-5,8H2,1H3,(H,21,23)(H,24,25);6-8,25H,2-5,9H2,1H3,(H,20,22)(H,23,24);7-9H,3-6H2,1-2H3,(H,20,22)(H,23,24);5-9,23-24H,1-4H2,(H,20,22);5-8H,1-4H2,(H,19,20)(H,21,23)
• InChIKey: HTWKKMHEGSMLJH-UHFFFAOYSA-N
• XLogP: 21.23
• TPSA: 470.56 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2009.13
LogP ≤ 5	21.23
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid?

The IUPAC name of [5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid (CID 158586376) is [5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid.

What is the SMILES notation for [5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid?

The canonical SMILES for [5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid is CC1=NCc2ccc(-c3nc4ccc5n[nH]c(C)c5c4c4c3CCCC4)cc21.Cc1[nH]ncc1-c1nc2c(F)cc3n[nH]c(CO)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3n[nH]c(C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3n[nH]c(CO)c3c2c2c1CCCC2.Fc1cc2[nH]ncc2c2c3c(c(-c4cn[nH]c4)nc12)CCCC3.OB(O)c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)o1.

What is the InChIKey of [5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid?

The InChIKey is HTWKKMHEGSMLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4.C19H18FN5O.C19H19N5O.C19H19N5.C18H16BN3O3.C17H14FN5/c1-13-19-11-15(7-8-16(19)12-25-13)24-18-6-4-3-5-17(18)23-20(26-24)9-10-21-22(23)14(2)27-28-21;1-9-12(7-21-23-9)18-11-5-3-2-4-10(11)16-17-14(24-25-15(17)8-26)6-13(20)19(16)22-18;1-10-13(8-20-22-10)19-12-5-3-2-4-11(12)17-14(21-19)6-7-15-18(17)16(9-25)24-23-15;1-10-14(9-20-22-10)19-13-6-4-3-5-12(13)18-15(21-19)7-8-16-17(18)11(2)23-24-16;23-19(24)16-8-7-15(25-16)18-11-4-2-1-3-10(11)17-12-9-20-22-13(12)5-6-14(17)21-18;18-13-5-14-12(8-21-23-14)15-10-3-1-2-4-11(10)16(22-17(13)15)9-6-19-20-7-9/h7-11H,3-6,12H2,1-2H3,(H,27,28);6-7,26H,2-5,8H2,1H3,(H,21,23)(H,24,25);6-8,25H,2-5,9H2,1H3,(H,20,22)(H,23,24);7-9H,3-6H2,1-2H3,(H,20,22)(H,23,24);5-9,23-24H,1-4H2,(H,20,22);5-8H,1-4H2,(H,19,20)(H,21,23).

What are the key properties of [5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid?

[5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid has a molecular weight of 2009.13 g/mol, XLogP of 21.23, 9 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [5-fluoro-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;5-fluoro-7-(1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(3-methyl-1H-isoindol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol;[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)furan-2-yl]boronic acid is sourced from PubChem (CID 158586376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).