2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane

C82H88Cl2IN21O4S2Sn — CID 159855000

IUPAC2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccncc1.Cc1ccc(S(=O)(=O)n2cc(-c3ccncc3)c3c(NC4CC4)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3c(NC4CC4)nc(Cl)nc32)cc1.Nc1ccc2cn[nH]c2c1.c1cc(-c2c[nH]c3nc(Nc4ccc5cn[nH]c5c4)nc(NC4CC4)c23)ccn1
InChIInChI=1S/C21H18ClN5O2S.C21H18N8.C16H14ClIN4O2S.C7H7N3.C5H4N.3C4H9.Sn/c1-13-2-6-16(7-3-13)30(28,29)27-12-17(14-8-10-23-11-9-14)18-19(24-15-4-5-15)25-21(22)26-20(18)27;1-2-15(9-17-13(1)10-24-29-17)26-21-27-19-18(20(28-21)25-14-3-4-14)16(11-23-19)12-5-7-22-8-6-12;1-9-2-6-11(7-3-9)25(23,24)22-8-12(18)13-14(19-10-4-5-10)20-16(17)21-15(13)22;8-6-2-1-5-4-9-10-7(5)3-6;1-2-4-6-5-3-1;3*1-3-4-2;/h2-3,6-12,15H,4-5H2,1H3,(H,24,25,26);1-2,5-11,14H,3-4H2,(H,24,29)(H3,23,25,26,27,28);2-3,6-8,10H,4-5H2,1H3,(H,19,20,21);1-4H,8H2,(H,9,10);2-5H;3*1,3-4H2,2H3;
InChIKeyNQKLVTRMUOADMJ-UHFFFAOYSA-N
MW1812.40 g/mol
LogP18.57
Rot. Bonds24

About 2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane

2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane (PubChem CID 159855000) has the molecular formula C82H88Cl2IN21O4S2Sn and a molecular weight of 1812.40 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane
PubChem CID159855000
Molecular FormulaC82H88Cl2IN21O4S2Sn
Molecular Weight1812.40 g/mol
Exact Mass1811.42
IUPAC Name2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccncc1.Cc1ccc(S(=O)(=O)n2cc(-c3ccncc3)c3c(NC4CC4)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3c(NC4CC4)nc(Cl)nc32)cc1.Nc1ccc2cn[nH]c2c1.c1cc(-c2c[nH]c3nc(Nc4ccc5cn[nH]c5c4)nc(NC4CC4)c23)ccn1
InChIInChI=1S/C21H18ClN5O2S.C21H18N8.C16H14ClIN4O2S.C7H7N3.C5H4N.3C4H9.Sn/c1-13-2-6-16(7-3-13)30(28,29)27-12-17(14-8-10-23-11-9-14)18-19(24-15-4-5-15)25-21(22)26-20(18)27;1-2-15(9-17-13(1)10-24-29-17)26-21-27-19-18(20(28-21)25-14-3-4-14)16(11-23-19)12-5-7-22-8-6-12;1-9-2-6-11(7-3-9)25(23,24)22-8-12(18)13-14(19-10-4-5-10)20-16(17)21-15(13)22;8-6-2-1-5-4-9-10-7(5)3-6;1-2-4-6-5-3-1;3*1-3-4-2;/h2-3,6-12,15H,4-5H2,1H3,(H,24,25,26);1-2,5-11,14H,3-4H2,(H,24,29)(H3,23,25,26,27,28);2-3,6-8,10H,4-5H2,1H3,(H,19,20,21);1-4H,8H2,(H,9,10);2-5H;3*1,3-4H2,2H3;
InChIKeyNQKLVTRMUOADMJ-UHFFFAOYSA-N
XLogP18.57
TPSA341.44 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001812.40
LogP ≤ 518.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane?
The IUPAC name of 2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane (CID 159855000) is 2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccncc1.Cc1ccc(S(=O)(=O)n2cc(-c3ccncc3)c3c(NC4CC4)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3c(NC4CC4)nc(Cl)nc32)cc1.Nc1ccc2cn[nH]c2c1.c1cc(-c2c[nH]c3nc(Nc4ccc5cn[nH]c5c4)nc(NC4CC4)c23)ccn1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane?
The InChIKey is NQKLVTRMUOADMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2S.C21H18N8.C16H14ClIN4O2S.C7H7N3.C5H4N.3C4H9.Sn/c1-13-2-6-16(7-3-13)30(28,29)27-12-17(14-8-10-23-11-9-14)18-19(24-15-4-5-15)25-21(22)26-20(18)27;1-2-15(9-17-13(1)10-24-29-17)26-21-27-19-18(20(28-21)25-14-3-4-14)16(11-23-19)12-5-7-22-8-6-12;1-9-2-6-11(7-3-9)25(23,24)22-8-12(18)13-14(19-10-4-5-10)20-16(17)21-15(13)22;8-6-2-1-5-4-9-10-7(5)3-6;1-2-4-6-5-3-1;3*1-3-4-2;/h2-3,6-12,15H,4-5H2,1H3,(H,24,25,26);1-2,5-11,14H,3-4H2,(H,24,29)(H3,23,25,26,27,28);2-3,6-8,10H,4-5H2,1H3,(H,19,20,21);1-4H,8H2,(H,9,10);2-5H;3*1,3-4H2,2H3;.
What are the key properties of 2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane?
2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane has a molecular weight of 1812.40 g/mol, XLogP of 18.57, 24 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-cyclopropyl-7-(4-methylphenyl)sulfonyl-5-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine;4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1H-indazol-6-amine;tributyl(pyridin-4-yl)stannane is sourced from PubChem (CID 159855000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).