(1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)

C129H120Cl6F15N41O12S5 — CID 159202069

About (1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)

(1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) (PubChem CID 159202069) has the molecular formula C129H120Cl6F15N41O12S5 and a molecular weight of 3094.68 g/mol. Its IUPAC name is (1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one).

Molecular Properties

• Compound Name: (1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)
• PubChem CID: 159202069
• Molecular Formula: C129H120Cl6F15N41O12S5
• Molecular Weight: 3094.68 g/mol
• Exact Mass: 3089.65
• IUPAC Name: (1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)
• SMILES: C#Cc1cncc(Oc2nc(Oc3cncc(C#N)c3)c3c(Cl)c(CC)[nH]c3n2)c1.CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCc1[nH]c2nc(Sc3cccnc3)nc(N3CC4C(N)C4C3)c2c1Cl.CCc1[nH]c2nc(Sc3cccnc3)nc(N3CC4CNC4C3)c2c1Cl.CCc1[nH]c2nc(Sc3cccnc3)nc(N3CC[C@@H](N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4cccnc4c3)nc(N3C[C@@H]4[C@H](C3)C4(N)C(N)=O)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@@H]4[C@H](C3)C4(N)C(N)=O)c2c1Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H21ClN8OS.C21H20ClN9OS.C21H13ClN6O2.2C18H19ClN6S.C17H19ClN6S.2C3H3F3O.3C2HF3O2/c1-2-13-17(23)16-18(28-13)29-21(33-10-6-15-14(27-7-10)4-3-5-26-15)30-19(16)31-8-11-12(9-31)22(11,25)20(24)32;1-2-12-15(22)14-17(28-12)29-20(33-9-5-13-16(27-6-9)26-4-3-25-13)30-18(14)31-7-10-11(8-31)21(10,24)19(23)32;1-3-12-5-15(11-24-8-12)30-21-27-19-17(18(22)16(4-2)26-19)20(28-21)29-14-6-13(7-23)9-25-10-14;1-2-12-15(19)14-16(22-12)23-18(26-11-4-3-5-20-7-11)24-17(14)25-8-10-6-21-13(10)9-25;1-2-12-14(19)13-16(22-12)23-18(26-9-4-3-5-21-6-9)24-17(13)25-7-10-11(8-25)15(10)20;1-2-12-14(18)13-15(21-12)22-17(25-11-4-3-6-20-8-11)23-16(13)24-7-5-10(19)9-24;2*1-2(7)3(4,5)6;3*3-2(4,5)1(6)7/h3-7,11-12H,2,8-9,25H2,1H3,(H2,24,32)(H,28,29,30);3-6,10-11H,2,7-8,24H2,1H3,(H2,23,32)(H,28,29,30);1,5-6,8-11H,4H2,2H3,(H,26,27,28);3-5,7,10,13,21H,2,6,8-9H2,1H3,(H,22,23,24);3-6,10-11,15H,2,7-8,20H2,1H3,(H,22,23,24);3-4,6,8,10H,2,5,7,9,19H2,1H3,(H,21,22,23);2*1H3;3*(H,6,7)/t11-,12+,22?;10-,11+,21?;;;;10-;;;;;/m.....1...../s1
• InChIKey: XVYMAJJMMDDPRM-CWAQFDIISA-N
• XLogP: 22.50
• TPSA: 785.10 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 47
• Rotatable Bonds: 27
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3094.68
LogP ≤ 5	22.50
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

The IUPAC name of (1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) (CID 159202069) is (1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one).

What is the SMILES notation for (1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

The canonical SMILES for (1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) is C#Cc1cncc(Oc2nc(Oc3cncc(C#N)c3)c3c(Cl)c(CC)[nH]c3n2)c1.CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCc1[nH]c2nc(Sc3cccnc3)nc(N3CC4C(N)C4C3)c2c1Cl.CCc1[nH]c2nc(Sc3cccnc3)nc(N3CC4CNC4C3)c2c1Cl.CCc1[nH]c2nc(Sc3cccnc3)nc(N3CC[C@@H](N)C3)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4cccnc4c3)nc(N3C[C@@H]4[C@H](C3)C4(N)C(N)=O)c2c1Cl.CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@@H]4[C@H](C3)C4(N)C(N)=O)c2c1Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of (1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

The InChIKey is XVYMAJJMMDDPRM-CWAQFDIISA-N. The full InChI is InChI=1S/C22H21ClN8OS.C21H20ClN9OS.C21H13ClN6O2.2C18H19ClN6S.C17H19ClN6S.2C3H3F3O.3C2HF3O2/c1-2-13-17(23)16-18(28-13)29-21(33-10-6-15-14(27-7-10)4-3-5-26-15)30-19(16)31-8-11-12(9-31)22(11,25)20(24)32;1-2-12-15(22)14-17(28-12)29-20(33-9-5-13-16(27-6-9)26-4-3-25-13)30-18(14)31-7-10-11(8-31)21(10,24)19(23)32;1-3-12-5-15(11-24-8-12)30-21-27-19-17(18(22)16(4-2)26-19)20(28-21)29-14-6-13(7-23)9-25-10-14;1-2-12-15(19)14-16(22-12)23-18(26-11-4-3-5-20-7-11)24-17(14)25-8-10-6-21-13(10)9-25;1-2-12-14(19)13-16(22-12)23-18(26-9-4-3-5-21-6-9)24-17(13)25-7-10-11(8-25)15(10)20;1-2-12-14(18)13-15(21-12)22-17(25-11-4-3-6-20-8-11)23-16(13)24-7-5-10(19)9-24;2*1-2(7)3(4,5)6;3*3-2(4,5)1(6)7/h3-7,11-12H,2,8-9,25H2,1H3,(H2,24,32)(H,28,29,30);3-6,10-11H,2,7-8,24H2,1H3,(H2,23,32)(H,28,29,30);1,5-6,8-11H,4H2,2H3,(H,26,27,28);3-5,7,10,13,21H,2,6,8-9H2,1H3,(H,22,23,24);3-6,10-11,15H,2,7-8,20H2,1H3,(H,22,23,24);3-4,6,8,10H,2,5,7,9,19H2,1H3,(H,21,22,23);2*1H3;3*(H,6,7)/t11-,12+,22?;10-,11+,21?;;;;10-;;;;;/m.....1...../s1.

What are the key properties of (1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?

(1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) has a molecular weight of 3094.68 g/mol, XLogP of 22.50, 27 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5R)-6-amino-3-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-6-amino-3-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;5-chloro-4-(3,6-diazabicyclo[3.2.0]heptan-3-yl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;5-[[5-chloro-6-ethyl-2-[(5-ethynyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]pyridine-3-carbonitrile;3-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine;(3R)-1-(5-chloro-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine;tris(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) is sourced from PubChem (CID 159202069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).