N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one

C109H107Cl8N19O10 — CID 161185119

About N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one

N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one (PubChem CID 161185119) has the molecular formula C109H107Cl8N19O10 and a molecular weight of 2126.80 g/mol. Its IUPAC name is N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one.

Molecular Properties

• Compound Name: N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one
• PubChem CID: 161185119
• Molecular Formula: C109H107Cl8N19O10
• Molecular Weight: 2126.80 g/mol
• Exact Mass: 2121.60
• IUPAC Name: N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one
• SMILES: CC(=O)N(C)C1CCN(C(=O)c2ccc(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)cc2)C1.CC(Oc1ccc2[nH]nc(-c3ccc(C(=O)CCCN4CCOCC4)cc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(-c3ccc(C(=O)N4CCNCC4C)cc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(-c3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cc3)c2c1)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C28H27Cl2N5O3.C28H28Cl2N4O3.C27H27Cl2N5O2.C26H25Cl2N5O2/c1-16(26-23(29)13-31-14-24(26)30)38-21-8-9-25-22(12-21)27(33-32-25)18-4-6-19(7-5-18)28(37)35-11-10-20(15-35)34(3)17(2)36;1-18(27-23(29)16-31-17-24(27)30)37-21-8-9-25-22(15-21)28(33-32-25)20-6-4-19(5-7-20)26(35)3-2-10-34-11-13-36-14-12-34;1-16(25-22(28)13-30-14-23(25)29)36-20-8-9-24-21(12-20)26(32-31-24)17-4-6-18(7-5-17)27(35)34-11-10-19(15-34)33(2)3;1-15-12-29-9-10-33(15)26(34)18-5-3-17(4-6-18)25-20-11-19(7-8-23(20)31-32-25)35-16(2)24-21(27)13-30-14-22(24)28/h4-9,12-14,16,20H,10-11,15H2,1-3H3,(H,32,33);4-9,15-18H,2-3,10-14H2,1H3,(H,32,33);4-9,12-14,16,19H,10-11,15H2,1-3H3,(H,31,32);3-8,11,13-16,29H,9-10,12H2,1-2H3,(H,31,32)/t;;16?,19-;/m..1./s1
• InChIKey: USZFIIVAKUBOOO-LFEAJSTJSA-N
• XLogP: 23.48
• TPSA: 329.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2126.80
LogP ≤ 5	23.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one?

The IUPAC name of N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one (CID 161185119) is N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one.

What is the SMILES notation for N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one?

The canonical SMILES for N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one is CC(=O)N(C)C1CCN(C(=O)c2ccc(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)cc2)C1.CC(Oc1ccc2[nH]nc(-c3ccc(C(=O)CCCN4CCOCC4)cc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(-c3ccc(C(=O)N4CCNCC4C)cc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2[nH]nc(-c3ccc(C(=O)N4CC[C@@H](N(C)C)C4)cc3)c2c1)c1c(Cl)cncc1Cl.

What is the InChIKey of N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one?

The InChIKey is USZFIIVAKUBOOO-LFEAJSTJSA-N. The full InChI is InChI=1S/C28H27Cl2N5O3.C28H28Cl2N4O3.C27H27Cl2N5O2.C26H25Cl2N5O2/c1-16(26-23(29)13-31-14-24(26)30)38-21-8-9-25-22(12-21)27(33-32-25)18-4-6-19(7-5-18)28(37)35-11-10-20(15-35)34(3)17(2)36;1-18(27-23(29)16-31-17-24(27)30)37-21-8-9-25-22(15-21)28(33-32-25)20-6-4-19(5-7-20)26(35)3-2-10-34-11-13-36-14-12-34;1-16(25-22(28)13-30-14-23(25)29)36-20-8-9-24-21(12-20)26(32-31-24)17-4-6-18(7-5-17)27(35)34-11-10-19(15-34)33(2)3;1-15-12-29-9-10-33(15)26(34)18-5-3-17(4-6-18)25-20-11-19(7-8-23(20)31-32-25)35-16(2)24-21(27)13-30-14-22(24)28/h4-9,12-14,16,20H,10-11,15H2,1-3H3,(H,32,33);4-9,15-18H,2-3,10-14H2,1H3,(H,32,33);4-9,12-14,16,19H,10-11,15H2,1-3H3,(H,31,32);3-8,11,13-16,29H,9-10,12H2,1-2H3,(H,31,32)/t;;16?,19-;/m..1./s1.

What are the key properties of N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one?

N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one has a molecular weight of 2126.80 g/mol, XLogP of 23.48, 26 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]benzoyl]pyrrolidin-3-yl]-N-methylacetamide;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone;[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-(2-methylpiperazin-1-yl)methanone;1-[4-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]phenyl]-4-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 161185119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).