N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide

C153H140F14N38O22S7 — CID 157189920

About N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide

N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide (PubChem CID 157189920) has the molecular formula C153H140F14N38O22S7 and a molecular weight of 3353.49 g/mol. Its IUPAC name is N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide
• PubChem CID: 157189920
• Molecular Formula: C153H140F14N38O22S7
• Molecular Weight: 3353.49 g/mol
• Exact Mass: 3350.88
• IUPAC Name: N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NCC4CC4)c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccc(C)cc4)c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccc(OC)nc4)c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cccc(C)c4)c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cccc(C)c4)c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccccn4)c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cccnc4)c23)c1F
• InChI: InChI=1S/3C23H21F2N5O3S.C22H20F2N6O4S.2C21H18F2N6O3S.C20H21F2N5O3S/c1-3-10-34(32,33)30-17-9-8-16(24)19(20(17)25)21(31)15-11-26-22-18(15)23(28-12-27-22)29-14-6-4-13(2)5-7-14;2*1-3-9-34(32,33)30-17-8-7-16(24)19(20(17)25)21(31)15-11-26-22-18(15)23(28-12-27-22)29-14-6-4-5-13(2)10-14;1-3-8-35(32,33)30-15-6-5-14(23)18(19(15)24)20(31)13-10-26-21-17(13)22(28-11-27-21)29-12-4-7-16(34-2)25-9-12;1-2-8-33(31,32)29-15-6-5-14(22)17(18(15)23)19(30)13-10-25-20-16(13)21(27-11-26-20)28-12-4-3-7-24-9-12;1-2-9-33(31,32)29-14-7-6-13(22)17(18(14)23)19(30)12-10-25-20-16(12)21(27-11-26-20)28-15-5-3-4-8-24-15;1-2-7-31(29,30)27-14-6-5-13(21)16(17(14)22)18(28)12-9-24-20-15(12)19(25-10-26-20)23-8-11-3-4-11/h4-9,11-12,30H,3,10H2,1-2H3,(H2,26,27,28,29);2*4-8,10-12,30H,3,9H2,1-2H3,(H2,26,27,28,29);4-7,9-11,30H,3,8H2,1-2H3,(H2,26,27,28,29);3-7,9-11,29H,2,8H2,1H3,(H2,25,26,27,28);3-8,10-11,29H,2,9H2,1H3,(H2,24,25,26,27,28);5-6,9-11,27H,2-4,7-8H2,1H3,(H2,23,24,25,26)
• InChIKey: APOSKFCHIQGRPJ-UHFFFAOYSA-N
• XLogP: 28.73
• TPSA: 865.78 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 46
• Rotatable Bonds: 58
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3353.49
LogP ≤ 5	28.73
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide?

The IUPAC name of N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide (CID 157189920) is N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide?

The canonical SMILES for N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(NCC4CC4)c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccc(C)cc4)c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccc(OC)nc4)c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cccc(C)c4)c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cccc(C)c4)c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4ccccn4)c23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncnc(Nc4cccnc4)c23)c1F.

What is the InChIKey of N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide?

The InChIKey is APOSKFCHIQGRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H21F2N5O3S.C22H20F2N6O4S.2C21H18F2N6O3S.C20H21F2N5O3S/c1-3-10-34(32,33)30-17-9-8-16(24)19(20(17)25)21(31)15-11-26-22-18(15)23(28-12-27-22)29-14-6-4-13(2)5-7-14;2*1-3-9-34(32,33)30-17-8-7-16(24)19(20(17)25)21(31)15-11-26-22-18(15)23(28-12-27-22)29-14-6-4-5-13(2)10-14;1-3-8-35(32,33)30-15-6-5-14(23)18(19(15)24)20(31)13-10-26-21-17(13)22(28-11-27-21)29-12-4-7-16(34-2)25-9-12;1-2-8-33(31,32)29-15-6-5-14(22)17(18(15)23)19(30)13-10-25-20-16(13)21(27-11-26-20)28-12-4-3-7-24-9-12;1-2-9-33(31,32)29-14-7-6-13(22)17(18(14)23)19(30)12-10-25-20-16(12)21(27-11-26-20)28-15-5-3-4-8-24-15;1-2-7-31(29,30)27-14-6-5-13(21)16(17(14)22)18(28)12-9-24-20-15(12)19(25-10-26-20)23-8-11-3-4-11/h4-9,11-12,30H,3,10H2,1-2H3,(H2,26,27,28,29);2*4-8,10-12,30H,3,9H2,1-2H3,(H2,26,27,28,29);4-7,9-11,30H,3,8H2,1-2H3,(H2,26,27,28,29);3-7,9-11,29H,2,8H2,1H3,(H2,25,26,27,28);3-8,10-11,29H,2,9H2,1H3,(H2,24,25,26,27,28);5-6,9-11,27H,2-4,7-8H2,1H3,(H2,23,24,25,26).

What are the key properties of N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide?

N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide has a molecular weight of 3353.49 g/mol, XLogP of 28.73, 58 rotatable bonds, 21 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-[(6-methoxy-3-pyridinyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;bis(N-[2,4-difluoro-3-[4-(3-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide);N-[2,4-difluoro-3-[4-(4-methylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[4-(pyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 157189920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).