1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

C113H129ClN30O11 — CID 161038952

IUPAC1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2nc(N3CC[C@H](N(C)C)C3)nc3c(Oc4c(C)ccc5[nH]ncc45)cccc23)CC1.C=CC(=O)N1CCN(c2nc(OCCN(C)C)nc3c(Oc4c(Cl)c(C)cc5[nH]ncc45)nccc23)CC1.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c(Oc4c(C)ccc5[nH]ncc45)cccc23)CC1.C=CC(=O)N1CCN(c2nc(OC[C@H]3CCCN3C)nc3c(Oc4c(C)ccc5[nH]ncc45)cccc23)CC1
InChIInChI=1S/C29H34N8O2.2C29H33N7O3.C26H29ClN8O3/c1-5-25(38)35-13-15-36(16-14-35)28-21-7-6-8-24(39-27-19(2)9-10-23-22(27)17-30-33-23)26(21)31-29(32-28)37-12-11-20(18-37)34(3)4;2*1-4-25(37)35-13-15-36(16-14-35)28-21-8-5-9-24(39-27-19(2)10-11-23-22(27)17-30-33-23)26(21)31-29(32-28)38-18-20-7-6-12-34(20)3;1-5-20(36)34-8-10-35(11-9-34)24-17-6-7-28-25(22(17)30-26(31-24)37-13-12-33(3)4)38-23-18-15-29-32-19(18)14-16(2)21(23)27/h5-10,17,20H,1,11-16,18H2,2-4H3,(H,30,33);2*4-5,8-11,17,20H,1,6-7,12-16,18H2,2-3H3,(H,30,33);5-7,14-15H,1,8-13H2,2-4H3,(H,29,32)/t3*20-;/m010./s1
InChIKeyUAPXZPKVKPEPLX-GXVDCLFWSA-N
MW2118.93 g/mol
LogP14.84
Rot. Bonds28

About 1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 161038952) has the molecular formula C113H129ClN30O11 and a molecular weight of 2118.93 g/mol. Its IUPAC name is 1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
PubChem CID161038952
Molecular FormulaC113H129ClN30O11
Molecular Weight2118.93 g/mol
Exact Mass2117.01
IUPAC Name1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2nc(N3CC[C@H](N(C)C)C3)nc3c(Oc4c(C)ccc5[nH]ncc45)cccc23)CC1.C=CC(=O)N1CCN(c2nc(OCCN(C)C)nc3c(Oc4c(Cl)c(C)cc5[nH]ncc45)nccc23)CC1.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c(Oc4c(C)ccc5[nH]ncc45)cccc23)CC1.C=CC(=O)N1CCN(c2nc(OC[C@H]3CCCN3C)nc3c(Oc4c(C)ccc5[nH]ncc45)cccc23)CC1
InChIInChI=1S/C29H34N8O2.2C29H33N7O3.C26H29ClN8O3/c1-5-25(38)35-13-15-36(16-14-35)28-21-7-6-8-24(39-27-19(2)9-10-23-22(27)17-30-33-23)26(21)31-29(32-28)37-12-11-20(18-37)34(3)4;2*1-4-25(37)35-13-15-36(16-14-35)28-21-8-5-9-24(39-27-19(2)10-11-23-22(27)17-30-33-23)26(21)31-29(32-28)38-18-20-7-6-12-34(20)3;1-5-20(36)34-8-10-35(11-9-34)24-17-6-7-28-25(22(17)30-26(31-24)37-13-12-33(3)4)38-23-18-15-29-32-19(18)14-16(2)21(23)27/h5-10,17,20H,1,11-16,18H2,2-4H3,(H,30,33);2*4-5,8-11,17,20H,1,6-7,12-16,18H2,2-3H3,(H,30,33);5-7,14-15H,1,8-13H2,2-4H3,(H,29,32)/t3*20-;/m010./s1
InChIKeyUAPXZPKVKPEPLX-GXVDCLFWSA-N
XLogP14.84
TPSA405.74 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002118.93
LogP ≤ 514.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(7R)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 142468970
1-[(7S)-11-chloro-16-[(1-cyclopropylpiperidin-4-yl)amino]-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 142468976
1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 142468998
1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 139364527
1-[4-[5-(5-chloro-6-methyl-1H-indazol-4-yl)-8-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]-3,4-dihydro-2H-pyrano[2,3-f]quinazolin-10-yl]piperazin-1-yl]prop-2-en-1-one
CID 171582469
1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 139345740
1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[[(3S)-3-fluoro-1-methylpiperidin-3-yl]methoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 139345759
1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[(2-ethyl-3-pyridinyl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 139345883
1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 139345898
1-[4-[2-[(1-acetylpyrrolidin-3-yl)methoxy]-8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 139345913
1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-(pyridin-2-ylmethoxy)pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 139345927
1-[4-[8-[(5-chloro-6-fluoro-1H-indazol-4-yl)oxy]-2-[[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 139345940

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (CID 161038952) is 1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2nc(N3CC[C@H](N(C)C)C3)nc3c(Oc4c(C)ccc5[nH]ncc45)cccc23)CC1.C=CC(=O)N1CCN(c2nc(OCCN(C)C)nc3c(Oc4c(Cl)c(C)cc5[nH]ncc45)nccc23)CC1.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c(Oc4c(C)ccc5[nH]ncc45)cccc23)CC1.C=CC(=O)N1CCN(c2nc(OC[C@H]3CCCN3C)nc3c(Oc4c(C)ccc5[nH]ncc45)cccc23)CC1.
What is the InChIKey of 1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
The InChIKey is UAPXZPKVKPEPLX-GXVDCLFWSA-N. The full InChI is InChI=1S/C29H34N8O2.2C29H33N7O3.C26H29ClN8O3/c1-5-25(38)35-13-15-36(16-14-35)28-21-7-6-8-24(39-27-19(2)9-10-23-22(27)17-30-33-23)26(21)31-29(32-28)37-12-11-20(18-37)34(3)4;2*1-4-25(37)35-13-15-36(16-14-35)28-21-8-5-9-24(39-27-19(2)10-11-23-22(27)17-30-33-23)26(21)31-29(32-28)38-18-20-7-6-12-34(20)3;1-5-20(36)34-8-10-35(11-9-34)24-17-6-7-28-25(22(17)30-26(31-24)37-13-12-33(3)4)38-23-18-15-29-32-19(18)14-16(2)21(23)27/h5-10,17,20H,1,11-16,18H2,2-4H3,(H,30,33);2*4-5,8-11,17,20H,1,6-7,12-16,18H2,2-3H3,(H,30,33);5-7,14-15H,1,8-13H2,2-4H3,(H,29,32)/t3*20-;/m010./s1.
What are the key properties of 1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 2118.93 g/mol, XLogP of 14.84, 28 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]-2-[2-(dimethylamino)ethoxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 161038952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).