[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]-N-(2-morpholin-4-ylethyl)ethenamine

C81H81Cl6N15O6 — CID 160737501

IUPAC[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]-N-(2-morpholin-4-ylethyl)ethenamine
SMILESC=C(NCCN1CCOCC1)c1ccc(-c2n[nH]c3ccc(OC(C)c4c(Cl)cncc4Cl)cc23)cc1.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
InChIInChI=1S/C28H29Cl2N5O2.C27H27Cl2N5O2.C26H25Cl2N5O2/c1-18(32-9-10-35-11-13-36-14-12-35)20-3-5-21(6-4-20)28-23-15-22(7-8-26(23)33-34-28)37-19(2)27-24(29)16-31-17-25(27)30;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/h3-8,15-17,19,32H,1,9-14H2,2H3,(H,33,34);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
InChIKeyRVDONIIJJYTBLL-LFZSLZBJSA-N
MW1573.36 g/mol
LogP17.32
Rot. Bonds20

About [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]-N-(2-morpholin-4-ylethyl)ethenamine

[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]-N-(2-morpholin-4-ylethyl)ethenamine (PubChem CID 160737501) has the molecular formula C81H81Cl6N15O6 and a molecular weight of 1573.36 g/mol. Its IUPAC name is [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]-N-(2-morpholin-4-ylethyl)ethenamine.

Molecular Properties

Compound Name[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]-N-(2-morpholin-4-ylethyl)ethenamine
PubChem CID160737501
Molecular FormulaC81H81Cl6N15O6
Molecular Weight1573.36 g/mol
Exact Mass1569.46
IUPAC Name[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]-N-(2-morpholin-4-ylethyl)ethenamine
SMILESC=C(NCCN1CCOCC1)c1ccc(-c2n[nH]c3ccc(OC(C)c4c(Cl)cncc4Cl)cc23)cc1.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
InChIInChI=1S/C28H29Cl2N5O2.C27H27Cl2N5O2.C26H25Cl2N5O2/c1-18(32-9-10-35-11-13-36-14-12-35)20-3-5-21(6-4-20)28-23-15-22(7-8-26(23)33-34-28)37-19(2)27-24(29)16-31-17-25(27)30;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/h3-8,15-17,19,32H,1,9-14H2,2H3,(H,33,34);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
InChIKeyRVDONIIJJYTBLL-LFZSLZBJSA-N
XLogP17.32
TPSA232.79 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.36
LogP ≤ 517.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze [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]-N-(2-morpholin-4-ylethyl)ethenamine with MolForge

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Related Compounds

N-[2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethyl]-6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanamide
CID 177378030
N-[2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethyl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propanamide
CID 177641504
N-[2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide
CID 177641753
N-[2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethyl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propanamide
CID 177642020
N-[2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanamide
CID 177642064
N-[2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethyl]-5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentanamide
CID 177642120
5-[2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177643732
(E)-N-[2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethyl]-4-(4-fluorophenyl)-4-oxobut-2-enamide
CID 177643756
N-[2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethyl]-5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanamide
CID 177644456
(E)-N-[2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethyl]-4-oxo-4-phenylbut-2-enamide
CID 177644803
N-[2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butanamide
CID 177645032
N-[2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethyl]-6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanamide
CID 177645303

Frequently Asked Questions

What is the IUPAC name of [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]-N-(2-morpholin-4-ylethyl)ethenamine?
The IUPAC name of [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]-N-(2-morpholin-4-ylethyl)ethenamine (CID 160737501) is [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]-N-(2-morpholin-4-ylethyl)ethenamine.
What is the SMILES notation for [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]-N-(2-morpholin-4-ylethyl)ethenamine?
The canonical SMILES for [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]-N-(2-morpholin-4-ylethyl)ethenamine is C=C(NCCN1CCOCC1)c1ccc(-c2n[nH]c3ccc(OC(C)c4c(Cl)cncc4Cl)cc23)cc1.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 [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]-N-(2-morpholin-4-ylethyl)ethenamine?
The InChIKey is RVDONIIJJYTBLL-LFZSLZBJSA-N. The full InChI is InChI=1S/C28H29Cl2N5O2.C27H27Cl2N5O2.C26H25Cl2N5O2/c1-18(32-9-10-35-11-13-36-14-12-35)20-3-5-21(6-4-20)28-23-15-22(7-8-26(23)33-34-28)37-19(2)27-24(29)16-31-17-25(27)30;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/h3-8,15-17,19,32H,1,9-14H2,2H3,(H,33,34);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 [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]-N-(2-morpholin-4-ylethyl)ethenamine?
[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]-N-(2-morpholin-4-ylethyl)ethenamine has a molecular weight of 1573.36 g/mol, XLogP of 17.32, 20 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [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]-N-(2-morpholin-4-ylethyl)ethenamine is sourced from PubChem (CID 160737501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).