1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)

C116H127Br5F18N42O15S — CID 160707128

IUPAC1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)
SMILESCC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCOc1nc(Nc2ccc(C)c3ncccc23)nc2[nH]c(CC)c(Br)c12.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC(NC(=O)OC(C)(C)C)C3)c2c1Br.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC(O)C3)c2c1Br.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4CC3CC3)nc(N3CC(O)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4c(c3)nnn4C(C)C)nc(N3CC(N)C3)c2c1Br.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H31BrN10O2.C20H22BrN9O.C20H20BrN5O.C19H22BrN9O.C19H22BrN9S.2C3H3F3O.4C2HF3O2/c1-7-15-18(25)17-19(29-15)30-22(27-13-8-16-20(26-9-13)35(12(2)3)33-32-16)31-21(17)34-10-14(11-34)28-23(36)37-24(4,5)6;1-2-13-16(21)15-17(24-13)25-20(26-19(15)29-8-12(31)9-29)23-11-5-14-18(22-6-11)30(28-27-14)7-10-3-4-10;1-4-13-16(21)15-18(23-13)25-20(26-19(15)27-5-2)24-14-9-8-11(3)17-12(14)7-6-10-22-17;1-4-12-15(20)14-16(23-12)24-19(25-18(14)28-7-11(30)8-28)22-10-5-13-17(21-6-10)29(9(2)3)27-26-13;1-4-12-15(20)14-16(23-12)24-19(25-18(14)28-7-10(21)8-28)30-11-5-13-17(22-6-11)29(9(2)3)27-26-13;2*1-2(7)3(4,5)6;4*3-2(4,5)1(6)7/h8-9,12,14H,7,10-11H2,1-6H3,(H,28,36)(H2,27,29,30,31);5-6,10,12,31H,2-4,7-9H2,1H3,(H2,23,24,25,26);6-10H,4-5H2,1-3H3,(H2,23,24,25,26);5-6,9,11,30H,4,7-8H2,1-3H3,(H2,22,23,24,25);5-6,9-10H,4,7-8,21H2,1-3H3,(H,23,24,25);2*1H3;4*(H,6,7)
InChIKeyUNKZVYPWNNLOMK-UHFFFAOYSA-N
MW3123.12 g/mol
LogP23.54
Rot. Bonds27

About 1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)

1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) (PubChem CID 160707128) has the molecular formula C116H127Br5F18N42O15S and a molecular weight of 3123.12 g/mol. Its IUPAC name is 1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one).

Molecular Properties

Compound Name1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)
PubChem CID160707128
Molecular FormulaC116H127Br5F18N42O15S
Molecular Weight3123.12 g/mol
Exact Mass3116.58
IUPAC Name1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)
SMILESCC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCOc1nc(Nc2ccc(C)c3ncccc23)nc2[nH]c(CC)c(Br)c12.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC(NC(=O)OC(C)(C)C)C3)c2c1Br.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC(O)C3)c2c1Br.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4CC3CC3)nc(N3CC(O)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4c(c3)nnn4C(C)C)nc(N3CC(N)C3)c2c1Br.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H31BrN10O2.C20H22BrN9O.C20H20BrN5O.C19H22BrN9O.C19H22BrN9S.2C3H3F3O.4C2HF3O2/c1-7-15-18(25)17-19(29-15)30-22(27-13-8-16-20(26-9-13)35(12(2)3)33-32-16)31-21(17)34-10-14(11-34)28-23(36)37-24(4,5)6;1-2-13-16(21)15-17(24-13)25-20(26-19(15)29-8-12(31)9-29)23-11-5-14-18(22-6-11)30(28-27-14)7-10-3-4-10;1-4-13-16(21)15-18(23-13)25-20(26-19(15)27-5-2)24-14-9-8-11(3)17-12(14)7-6-10-22-17;1-4-12-15(20)14-16(23-12)24-19(25-18(14)28-7-11(30)8-28)22-10-5-13-17(21-6-10)29(9(2)3)27-26-13;1-4-12-15(20)14-16(23-12)24-19(25-18(14)28-7-10(21)8-28)30-11-5-13-17(22-6-11)29(9(2)3)27-26-13;2*1-2(7)3(4,5)6;4*3-2(4,5)1(6)7/h8-9,12,14H,7,10-11H2,1-6H3,(H,28,36)(H2,27,29,30,31);5-6,10,12,31H,2-4,7-9H2,1H3,(H2,23,24,25,26);6-10H,4-5H2,1-3H3,(H2,23,24,25,26);5-6,9,11,30H,4,7-8H2,1-3H3,(H2,22,23,24,25);5-6,9-10H,4,7-8,21H2,1-3H3,(H,23,24,25);2*1H3;4*(H,6,7)
InChIKeyUNKZVYPWNNLOMK-UHFFFAOYSA-N
XLogP23.54
TPSA753.60 Ų
H-Bond Donors17
H-Bond Acceptors48
Rotatable Bonds27
Heavy Atoms197
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003123.12
LogP ≤ 523.54
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1048

Analyze 1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?
The IUPAC name of 1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) (CID 160707128) is 1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one).
What is the SMILES notation for 1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?
The canonical SMILES for 1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) is CC(=O)C(F)(F)F.CC(=O)C(F)(F)F.CCOc1nc(Nc2ccc(C)c3ncccc23)nc2[nH]c(CC)c(Br)c12.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC(NC(=O)OC(C)(C)C)C3)c2c1Br.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4C(C)C)nc(N3CC(O)C3)c2c1Br.CCc1[nH]c2nc(Nc3cnc4c(c3)nnn4CC3CC3)nc(N3CC(O)C3)c2c1Br.CCc1[nH]c2nc(Sc3cnc4c(c3)nnn4C(C)C)nc(N3CC(N)C3)c2c1Br.O=C(O)C(F)(F)F.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 1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?
The InChIKey is UNKZVYPWNNLOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN10O2.C20H22BrN9O.C20H20BrN5O.C19H22BrN9O.C19H22BrN9S.2C3H3F3O.4C2HF3O2/c1-7-15-18(25)17-19(29-15)30-22(27-13-8-16-20(26-9-13)35(12(2)3)33-32-16)31-21(17)34-10-14(11-34)28-23(36)37-24(4,5)6;1-2-13-16(21)15-17(24-13)25-20(26-19(15)29-8-12(31)9-29)23-11-5-14-18(22-6-11)30(28-27-14)7-10-3-4-10;1-4-13-16(21)15-18(23-13)25-20(26-19(15)27-5-2)24-14-9-8-11(3)17-12(14)7-6-10-22-17;1-4-12-15(20)14-16(23-12)24-19(25-18(14)28-7-11(30)8-28)22-10-5-13-17(21-6-10)29(9(2)3)27-26-13;1-4-12-15(20)14-16(23-12)24-19(25-18(14)28-7-10(21)8-28)30-11-5-13-17(22-6-11)29(9(2)3)27-26-13;2*1-2(7)3(4,5)6;4*3-2(4,5)1(6)7/h8-9,12,14H,7,10-11H2,1-6H3,(H,28,36)(H2,27,29,30,31);5-6,10,12,31H,2-4,7-9H2,1H3,(H2,23,24,25,26);6-10H,4-5H2,1-3H3,(H2,23,24,25,26);5-6,9,11,30H,4,7-8H2,1-3H3,(H2,22,23,24,25);5-6,9-10H,4,7-8,21H2,1-3H3,(H,23,24,25);2*1H3;4*(H,6,7).
What are the key properties of 1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one)?
1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) has a molecular weight of 3123.12 g/mol, XLogP of 23.54, 27 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[[3-(cyclopropylmethyl)triazolo[4,5-b]pyridin-6-yl]amino]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;N-(5-bromo-4-ethoxy-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-8-methylquinolin-5-amine;1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-ol;1-[5-bromo-6-ethyl-2-(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-amine;tert-butyl N-[1-[5-bromo-6-ethyl-2-[(3-propan-2-yltriazolo[4,5-b]pyridin-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]azetidin-3-yl]carbamate;tetrakis(2,2,2-trifluoroacetic acid);bis(1,1,1-trifluoropropan-2-one) is sourced from PubChem (CID 160707128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).