[3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane

C119H131N31O7 — CID 162174236

About [3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane

[3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane (PubChem CID 162174236) has the molecular formula C119H131N31O7 and a molecular weight of 2107.57 g/mol. Its IUPAC name is [3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane.

Molecular Properties

• Compound Name: [3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane
• PubChem CID: 162174236
• Molecular Formula: C119H131N31O7
• Molecular Weight: 2107.57 g/mol
• Exact Mass: 2106.08
• IUPAC Name: [3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane
• SMILES: C=Cc1[nH]nc(C(=O)N2CC(N(C)C)C2)c1-c1cnc(-c2cn[nH]c2C)cc1C.CCC.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)COCCO)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)Cc4ccncc4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCCC4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CC[C@H](N(C)C)C4)c3c2c2c1CCCC2
• InChI: InChI=1S/C25H29N7O.C25H22N6O.C23H24N6O.C22H23N5O3.C21H25N7O.C3H8/c1-14-18(12-26-28-14)23-17-7-5-4-6-16(17)21-19(27-23)8-9-20-22(21)24(30-29-20)25(33)32-11-10-15(13-32)31(2)3;1-14-18(13-27-29-14)24-17-5-3-2-4-16(17)22-19(28-24)6-7-20-23(22)25(31-30-20)21(32)12-15-8-10-26-11-9-15;1-13-16(12-24-26-13)21-15-7-3-2-6-14(15)19-17(25-21)8-9-18-20(19)22(28-27-18)23(30)29-10-4-5-11-29;1-12-15(10-23-25-12)21-14-5-3-2-4-13(14)19-16(24-21)6-7-17-20(19)22(27-26-17)18(29)11-30-9-8-28;1-6-17-19(20(26-25-17)21(29)28-10-14(11-28)27(4)5)15-8-22-18(7-12(15)2)16-9-23-24-13(16)3;1-3-2/h8-9,12,15H,4-7,10-11,13H2,1-3H3,(H,26,28)(H,29,30);6-11,13H,2-5,12H2,1H3,(H,27,29)(H,30,31);8-9,12H,2-7,10-11H2,1H3,(H,24,26)(H,27,28);6-7,10,28H,2-5,8-9,11H2,1H3,(H,23,25)(H,26,27);6-9,14H,1,10-11H2,2-5H3,(H,23,24)(H,25,26);3H2,1-2H3/t15-;;;;;/m0...../s1
• InChIKey: ZOEHDNDJLRGQQZ-UQGQBRTCSA-N
• XLogP: 18.70
• TPSA: 495.15 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2107.57
LogP ≤ 5	18.70
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane?

The IUPAC name of [3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane (CID 162174236) is [3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane.

What is the SMILES notation for [3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane?

The canonical SMILES for [3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane is C=Cc1[nH]nc(C(=O)N2CC(N(C)C)C2)c1-c1cnc(-c2cn[nH]c2C)cc1C.CCC.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)COCCO)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)Cc4ccncc4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CCCC4)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]nc(C(=O)N4CC[C@H](N(C)C)C4)c3c2c2c1CCCC2.

What is the InChIKey of [3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane?

The InChIKey is ZOEHDNDJLRGQQZ-UQGQBRTCSA-N. The full InChI is InChI=1S/C25H29N7O.C25H22N6O.C23H24N6O.C22H23N5O3.C21H25N7O.C3H8/c1-14-18(12-26-28-14)23-17-7-5-4-6-16(17)21-19(27-23)8-9-20-22(21)24(30-29-20)25(33)32-11-10-15(13-32)31(2)3;1-14-18(13-27-29-14)24-17-5-3-2-4-16(17)22-19(28-24)6-7-20-23(22)25(31-30-20)21(32)12-15-8-10-26-11-9-15;1-13-16(12-24-26-13)21-15-7-3-2-6-14(15)19-17(25-21)8-9-18-20(19)22(28-27-18)23(30)29-10-4-5-11-29;1-12-15(10-23-25-12)21-14-5-3-2-4-13(14)19-16(24-21)6-7-17-20(19)22(27-26-17)18(29)11-30-9-8-28;1-6-17-19(20(26-25-17)21(29)28-10-14(11-28)27(4)5)15-8-22-18(7-12(15)2)16-9-23-24-13(16)3;1-3-2/h8-9,12,15H,4-7,10-11,13H2,1-3H3,(H,26,28)(H,29,30);6-11,13H,2-5,12H2,1H3,(H,27,29)(H,30,31);8-9,12H,2-7,10-11H2,1H3,(H,24,26)(H,27,28);6-7,10,28H,2-5,8-9,11H2,1H3,(H,23,25)(H,26,27);6-9,14H,1,10-11H2,2-5H3,(H,23,24)(H,25,26);3H2,1-2H3/t15-;;;;;/m0...../s1.

What are the key properties of [3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane?

[3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane has a molecular weight of 2107.57 g/mol, XLogP of 18.70, 20 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(dimethylamino)azetidin-1-yl]-[5-ethenyl-4-[4-methyl-6-(5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]-1H-pyrazol-3-yl]methanone;[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]methanone;2-(2-hydroxyethoxy)-1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]ethanone;1-[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-2-pyridin-4-ylethanone;[7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-yl]-pyrrolidin-1-ylmethanone;propane is sourced from PubChem (CID 162174236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).