N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C107H106F6N30O5 — CID 158956204

About N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 158956204) has the molecular formula C107H106F6N30O5 and a molecular weight of 2006.22 g/mol. Its IUPAC name is N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
• PubChem CID: 158956204
• Molecular Formula: C107H106F6N30O5
• Molecular Weight: 2006.22 g/mol
• Exact Mass: 2004.89
• IUPAC Name: N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
• SMILES: CCC(=O)c1n[nH]c2ccc3nc(-c4cn[nH]c4C)c4c(c3c12)CCCC4.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)CCCO)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N(C)C)c3c2c2c1CCCC2.Cc1[nH]ncc1C1NC2=C(C3=C1CCCC3)C1C(C(N)=O)=NNC1C=C2.Cc1nc(Nc2n[nH]c(C(F)(F)F)c2-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ncc1C(F)(F)F
• InChI: InChI=1S/C24H18F6N8.C22H23N5O2.C21H22N6O.C21H21N5O.C19H22N6O/c1-10-14(23(25,26)27)9-31-22(33-10)35-21-18(20(37-38-21)24(28,29)30)19-12-5-3-2-4-11(12)17-13-8-32-36-15(13)6-7-16(17)34-19;1-12-15(11-23-25-12)21-14-6-3-2-5-13(14)19-16(24-21)8-9-17-20(19)22(27-26-17)18(29)7-4-10-28;1-11-14(10-22-24-11)19-13-7-5-4-6-12(13)17-15(23-19)8-9-16-18(17)20(26-25-16)21(28)27(2)3;1-3-17(27)21-19-16(25-26-21)9-8-15-18(19)12-6-4-5-7-13(12)20(23-15)14-10-22-24-11(14)2;1-9-12(8-21-23-9)17-11-5-3-2-4-10(11)15-13(22-17)6-7-14-16(15)18(19(20)26)25-24-14/h6-9H,2-5H2,1H3,(H,32,36)(H2,31,33,35,37,38);8-9,11,28H,2-7,10H2,1H3,(H,23,25)(H,26,27);8-10H,4-7H2,1-3H3,(H,22,24)(H,25,26);8-10H,3-7H2,1-2H3,(H,22,24)(H,25,26);6-8,14,16-17,22,24H,2-5H2,1H3,(H2,20,26)(H,21,23)
• InChIKey: JMANZTIYWJHPFC-UHFFFAOYSA-N
• XLogP: 19.06
• TPSA: 501.68 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2006.22
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?

The IUPAC name of N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 158956204) is N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

What is the SMILES notation for N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?

The canonical SMILES for N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is CCC(=O)c1n[nH]c2ccc3nc(-c4cn[nH]c4C)c4c(c3c12)CCCC4.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)CCCO)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N(C)C)c3c2c2c1CCCC2.Cc1[nH]ncc1C1NC2=C(C3=C1CCCC3)C1C(C(N)=O)=NNC1C=C2.Cc1nc(Nc2n[nH]c(C(F)(F)F)c2-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ncc1C(F)(F)F.

What is the InChIKey of N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?

The InChIKey is JMANZTIYWJHPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F6N8.C22H23N5O2.C21H22N6O.C21H21N5O.C19H22N6O/c1-10-14(23(25,26)27)9-31-22(33-10)35-21-18(20(37-38-21)24(28,29)30)19-12-5-3-2-4-11(12)17-13-8-32-36-15(13)6-7-16(17)34-19;1-12-15(11-23-25-12)21-14-6-3-2-5-13(14)19-16(24-21)8-9-17-20(19)22(27-26-17)18(29)7-4-10-28;1-11-14(10-22-24-11)19-13-7-5-4-6-12(13)17-15(23-19)8-9-16-18(17)20(26-25-16)21(28)27(2)3;1-3-17(27)21-19-16(25-26-21)9-8-15-18(19)12-6-4-5-7-13(12)20(23-15)14-10-22-24-11(14)2;1-9-12(8-21-23-9)17-11-5-3-2-4-10(11)15-13(22-17)6-7-14-16(15)18(19(20)26)25-24-14/h6-9H,2-5H2,1H3,(H,32,36)(H2,31,33,35,37,38);8-9,11,28H,2-7,10H2,1H3,(H,23,25)(H,26,27);8-10H,4-7H2,1-3H3,(H,22,24)(H,25,26);8-10H,3-7H2,1-2H3,(H,22,24)(H,25,26);6-8,14,16-17,22,24H,2-5H2,1H3,(H2,20,26)(H,21,23).

What are the key properties of N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?

N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 2006.22 g/mol, XLogP of 19.06, 15 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;4-hydroxy-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]butan-1-one;7-(5-methyl-1H-pyrazol-4-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]propan-1-one;4-methyl-N-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 158956204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).