7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one

C129H137Cl6F6N37O11S2 — CID 158186499

IUPAC7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one
SMILESC=CCc1nc(Cc2cccnc2)nc2[nH]c(CC)c(Cl)c12.CC(=O)C(F)(F)F.CCc1[nH]c2nc(Cc3cccnc3)nc(N3CCC(C(C)N4CCOCC4)CC3)c2c1Cl.CCc1[nH]c2nc(Oc3cncc(OC)c3)nc(Oc3cncc(OC)c3)c2c1Cl.CCc1[nH]c2nc(Sc3ccc4c(NC)ccnc4c3)nc(N3CCC(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4c(NCC(C)C)ncnc4c3)nc(N3CCC(N)C3)c2c1Cl.O=C(O)C(F)(F)F.OCCc1[nH]c2nc(Oc3cccnc3)nc(Oc3cncnc3)c2c1Cl
InChIInChI=1S/C25H33ClN6O.C23H28ClN9S.C22H24ClN7S.C20H18ClN5O4.C17H13ClN6O3.C17H17ClN4.C3H3F3O.C2HF3O2/c1-3-20-23(26)22-24(28-20)29-21(15-18-5-4-8-27-16-18)30-25(22)32-9-6-19(7-10-32)17(2)31-11-13-33-14-12-31;1-4-15-18(24)17-20(30-15)31-23(32-22(17)33-6-5-13(25)10-33)34-14-7-16-19(26-9-14)21(29-11-28-16)27-8-12(2)3;1-3-15-19(23)18-20(27-15)28-22(29-21(18)30-9-7-12(24)11-30)31-13-4-5-14-16(25-2)6-8-26-17(14)10-13;1-4-15-17(21)16-18(24-15)25-20(30-14-6-12(28-3)8-23-10-14)26-19(16)29-13-5-11(27-2)7-22-9-13;18-14-12(3-5-25)22-15-13(14)16(26-11-7-20-9-21-8-11)24-17(23-15)27-10-2-1-4-19-6-10;1-3-6-13-15-16(18)12(4-2)21-17(15)22-14(20-13)9-11-7-5-8-19-10-11;1-2(7)3(4,5)6;3-2(4,5)1(6)7/h4-5,8,16-17,19H,3,6-7,9-15H2,1-2H3,(H,28,29,30);7,9,11-13H,4-6,8,10,25H2,1-3H3,(H,27,28,29)(H,30,31,32);4-6,8,10,12H,3,7,9,11,24H2,1-2H3,(H,25,26)(H,27,28,29);5-10H,4H2,1-3H3,(H,24,25,26);1-2,4,6-9,25H,3,5H2,(H,22,23,24);3,5,7-8,10H,1,4,6,9H2,2H3,(H,20,21,22);1H3;(H,6,7)
InChIKeyQTGMLUDJPFMFCA-UHFFFAOYSA-N
MW2772.60 g/mol
LogP25.96
Rot. Bonds36

About 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one

7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one (PubChem CID 158186499) has the molecular formula C129H137Cl6F6N37O11S2 and a molecular weight of 2772.60 g/mol. Its IUPAC name is 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one
PubChem CID158186499
Molecular FormulaC129H137Cl6F6N37O11S2
Molecular Weight2772.60 g/mol
Exact Mass2767.88
IUPAC Name7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one
SMILESC=CCc1nc(Cc2cccnc2)nc2[nH]c(CC)c(Cl)c12.CC(=O)C(F)(F)F.CCc1[nH]c2nc(Cc3cccnc3)nc(N3CCC(C(C)N4CCOCC4)CC3)c2c1Cl.CCc1[nH]c2nc(Oc3cncc(OC)c3)nc(Oc3cncc(OC)c3)c2c1Cl.CCc1[nH]c2nc(Sc3ccc4c(NC)ccnc4c3)nc(N3CCC(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4c(NCC(C)C)ncnc4c3)nc(N3CCC(N)C3)c2c1Cl.O=C(O)C(F)(F)F.OCCc1[nH]c2nc(Oc3cccnc3)nc(Oc3cncnc3)c2c1Cl
InChIInChI=1S/C25H33ClN6O.C23H28ClN9S.C22H24ClN7S.C20H18ClN5O4.C17H13ClN6O3.C17H17ClN4.C3H3F3O.C2HF3O2/c1-3-20-23(26)22-24(28-20)29-21(15-18-5-4-8-27-16-18)30-25(22)32-9-6-19(7-10-32)17(2)31-11-13-33-14-12-31;1-4-15-18(24)17-20(30-15)31-23(32-22(17)33-6-5-13(25)10-33)34-14-7-16-19(26-9-14)21(29-11-28-16)27-8-12(2)3;1-3-15-19(23)18-20(27-15)28-22(29-21(18)30-9-7-12(24)11-30)31-13-4-5-14-16(25-2)6-8-26-17(14)10-13;1-4-15-17(21)16-18(24-15)25-20(30-14-6-12(28-3)8-23-10-14)26-19(16)29-13-5-11(27-2)7-22-9-13;18-14-12(3-5-25)22-15-13(14)16(26-11-7-20-9-21-8-11)24-17(23-15)27-10-2-1-4-19-6-10;1-3-6-13-15-16(18)12(4-2)21-17(15)22-14(20-13)9-11-7-5-8-19-10-11;1-2(7)3(4,5)6;3-2(4,5)1(6)7/h4-5,8,16-17,19H,3,6-7,9-15H2,1-2H3,(H,28,29,30);7,9,11-13H,4-6,8,10,25H2,1-3H3,(H,27,28,29)(H,30,31,32);4-6,8,10,12H,3,7,9,11,24H2,1-2H3,(H,25,26)(H,27,28,29);5-10H,4H2,1-3H3,(H,24,25,26);1-2,4,6-9,25H,3,5H2,(H,22,23,24);3,5,7-8,10H,1,4,6,9H2,2H3,(H,20,21,22);1H3;(H,6,7)
InChIKeyQTGMLUDJPFMFCA-UHFFFAOYSA-N
XLogP25.96
TPSA619.48 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds36
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002772.60
LogP ≤ 525.96
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-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

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one?
The IUPAC name of 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one (CID 158186499) is 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one?
The canonical SMILES for 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one is C=CCc1nc(Cc2cccnc2)nc2[nH]c(CC)c(Cl)c12.CC(=O)C(F)(F)F.CCc1[nH]c2nc(Cc3cccnc3)nc(N3CCC(C(C)N4CCOCC4)CC3)c2c1Cl.CCc1[nH]c2nc(Oc3cncc(OC)c3)nc(Oc3cncc(OC)c3)c2c1Cl.CCc1[nH]c2nc(Sc3ccc4c(NC)ccnc4c3)nc(N3CCC(N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4c(NCC(C)C)ncnc4c3)nc(N3CCC(N)C3)c2c1Cl.O=C(O)C(F)(F)F.OCCc1[nH]c2nc(Oc3cccnc3)nc(Oc3cncnc3)c2c1Cl.
What is the InChIKey of 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one?
The InChIKey is QTGMLUDJPFMFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN6O.C23H28ClN9S.C22H24ClN7S.C20H18ClN5O4.C17H13ClN6O3.C17H17ClN4.C3H3F3O.C2HF3O2/c1-3-20-23(26)22-24(28-20)29-21(15-18-5-4-8-27-16-18)30-25(22)32-9-6-19(7-10-32)17(2)31-11-13-33-14-12-31;1-4-15-18(24)17-20(30-15)31-23(32-22(17)33-6-5-13(25)10-33)34-14-7-16-19(26-9-14)21(29-11-28-16)27-8-12(2)3;1-3-15-19(23)18-20(27-15)28-22(29-21(18)30-9-7-12(24)11-30)31-13-4-5-14-16(25-2)6-8-26-17(14)10-13;1-4-15-17(21)16-18(24-15)25-20(30-14-6-12(28-3)8-23-10-14)26-19(16)29-13-5-11(27-2)7-22-9-13;18-14-12(3-5-25)22-15-13(14)16(26-11-7-20-9-21-8-11)24-17(23-15)27-10-2-1-4-19-6-10;1-3-6-13-15-16(18)12(4-2)21-17(15)22-14(20-13)9-11-7-5-8-19-10-11;1-2(7)3(4,5)6;3-2(4,5)1(6)7/h4-5,8,16-17,19H,3,6-7,9-15H2,1-2H3,(H,28,29,30);7,9,11-13H,4-6,8,10,25H2,1-3H3,(H,27,28,29)(H,30,31,32);4-6,8,10,12H,3,7,9,11,24H2,1-2H3,(H,25,26)(H,27,28,29);5-10H,4H2,1-3H3,(H,24,25,26);1-2,4,6-9,25H,3,5H2,(H,22,23,24);3,5,7-8,10H,1,4,6,9H2,2H3,(H,20,21,22);1H3;(H,6,7).
What are the key properties of 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one?
7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one has a molecular weight of 2772.60 g/mol, XLogP of 25.96, 36 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methylpropyl)pyrido[3,2-d]pyrimidin-4-amine;7-[[4-(3-aminopyrrolidin-1-yl)-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-methylquinolin-4-amine;5-chloro-6-ethyl-2,4-bis[(5-methoxy-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine;5-chloro-6-ethyl-4-prop-2-enyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[1-[1-[5-chloro-6-ethyl-2-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]ethyl]morpholine;2-(5-chloro-2-pyridin-3-yloxy-4-pyrimidin-5-yloxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethanol;2,2,2-trifluoroacetic acid;1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 158186499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).