5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine

C96H121Cl5N34O20S3 — CID 160885109

IUPAC5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine
SMILESCc1ccc(S(=O)(=O)C[C@H]2COC3C2OC[C@H]3Nc2nc(Nc3cnn(C)c3)ncc2Cl)cc1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C(CS(=O)(=O)N5CCCCC5)COC34)n2)cn1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C3OCC4N3CCOC3=O)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4CS(=O)(=O)N3CCCCC3)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4N3CCOC3=O)n2)cn1
InChIInChI=1S/C22H25ClN6O4S.2C20H28ClN7O4S.2C17H20ClN7O4/c1-13-3-5-16(6-4-13)34(30,31)12-14-10-32-20-18(11-33-19(14)20)27-21-17(23)8-24-22(28-21)26-15-7-25-29(2)9-15;2*1-27-9-14(7-23-27)24-20-22-8-15(21)19(26-20)25-16-11-32-17-13(10-31-18(16)17)12-33(29,30)28-5-3-2-4-6-28;2*1-24-6-9(4-20-24)21-16-19-5-10(18)15(23-16)22-11-7-28-14-12(8-29-13(11)14)25-2-3-27-17(25)26/h3-9,14,18-20H,10-12H2,1-2H3,(H2,24,26,27,28);2*7-9,13,16-18H,2-6,10-12H2,1H3,(H2,22,24,25,26);2*4-6,11-14H,2-3,7-8H2,1H3,(H2,19,21,22,23)/t14-,18-,19?,20?;13-,16-,17?,18?;;11-,12+,13?,14?;/m11.1./s1
InChIKeySNNNPCNMTBVLIF-RJFLFGMASA-N
MW2344.71 g/mol
LogP7.83
Rot. Bonds31

About 5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine

5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine (PubChem CID 160885109) has the molecular formula C96H121Cl5N34O20S3 and a molecular weight of 2344.71 g/mol. Its IUPAC name is 5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine
PubChem CID160885109
Molecular FormulaC96H121Cl5N34O20S3
Molecular Weight2344.71 g/mol
Exact Mass2340.71
IUPAC Name5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine
SMILESCc1ccc(S(=O)(=O)C[C@H]2COC3C2OC[C@H]3Nc2nc(Nc3cnn(C)c3)ncc2Cl)cc1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C(CS(=O)(=O)N5CCCCC5)COC34)n2)cn1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C3OCC4N3CCOC3=O)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4CS(=O)(=O)N3CCCCC3)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4N3CCOC3=O)n2)cn1
InChIInChI=1S/C22H25ClN6O4S.2C20H28ClN7O4S.2C17H20ClN7O4/c1-13-3-5-16(6-4-13)34(30,31)12-14-10-32-20-18(11-33-19(14)20)27-21-17(23)8-24-22(28-21)26-15-7-25-29(2)9-15;2*1-27-9-14(7-23-27)24-20-22-8-15(21)19(26-20)25-16-11-32-17-13(10-31-18(16)17)12-33(29,30)28-5-3-2-4-6-28;2*1-24-6-9(4-20-24)21-16-19-5-10(18)15(23-16)22-11-7-28-14-12(8-29-13(11)14)25-2-3-27-17(25)26/h3-9,14,18-20H,10-12H2,1-2H3,(H2,24,26,27,28);2*7-9,13,16-18H,2-6,10-12H2,1H3,(H2,22,24,25,26);2*4-6,11-14H,2-3,7-8H2,1H3,(H2,19,21,22,23)/t14-,18-,19?,20?;13-,16-,17?,18?;;11-,12+,13?,14?;/m11.1./s1
InChIKeySNNNPCNMTBVLIF-RJFLFGMASA-N
XLogP7.83
TPSA598.58 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds31
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002344.71
LogP ≤ 57.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Analyze 5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine (CID 160885109) is 5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine is Cc1ccc(S(=O)(=O)C[C@H]2COC3C2OC[C@H]3Nc2nc(Nc3cnn(C)c3)ncc2Cl)cc1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C(CS(=O)(=O)N5CCCCC5)COC34)n2)cn1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C3OCC4N3CCOC3=O)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4CS(=O)(=O)N3CCCCC3)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4N3CCOC3=O)n2)cn1.
What is the InChIKey of 5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine?
The InChIKey is SNNNPCNMTBVLIF-RJFLFGMASA-N. The full InChI is InChI=1S/C22H25ClN6O4S.2C20H28ClN7O4S.2C17H20ClN7O4/c1-13-3-5-16(6-4-13)34(30,31)12-14-10-32-20-18(11-33-19(14)20)27-21-17(23)8-24-22(28-21)26-15-7-25-29(2)9-15;2*1-27-9-14(7-23-27)24-20-22-8-15(21)19(26-20)25-16-11-32-17-13(10-31-18(16)17)12-33(29,30)28-5-3-2-4-6-28;2*1-24-6-9(4-20-24)21-16-19-5-10(18)15(23-16)22-11-7-28-14-12(8-29-13(11)14)25-2-3-27-17(25)26/h3-9,14,18-20H,10-12H2,1-2H3,(H2,24,26,27,28);2*7-9,13,16-18H,2-6,10-12H2,1H3,(H2,22,24,25,26);2*4-6,11-14H,2-3,7-8H2,1H3,(H2,19,21,22,23)/t14-,18-,19?,20?;13-,16-,17?,18?;;11-,12+,13?,14?;/m11.1./s1.
What are the key properties of 5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine?
5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine has a molecular weight of 2344.71 g/mol, XLogP of 7.83, 31 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(3S,6R)-3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;3-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;3-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-1,3-oxazolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-(piperidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160885109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).