5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone

C79H83ClF6N18O11S3 — CID 157147525

IUPAC5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone
SMILESCn1ccc(-c2ccc(Nc3cc(CC(=O)C4CC4)nc4c3N=C(C(F)F)C4)c(S(C)(=O)=O)c2)n1.Cn1ccc(-c2ccc(Nc3cc(CC(=O)C4CC4)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)n1.Cn1ccc(-c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)n1.NC(=O)C1CC1
InChIInChI=1S/C28H30F2N6O4S.C24H23F2N5O3S.C23H23ClF2N6O3S.C4H7NO/c1-35-11-10-19(34-35)17-8-9-20(23(13-17)41(2,38)39)32-21-14-18(15-22(37)16-6-7-16)31-27-25(21)33-28(26(29)30)36(27)24-5-3-4-12-40-24;1-31-8-7-16(30-31)14-5-6-17(22(9-14)35(2,33)34)28-18-10-15(11-21(32)13-3-4-13)27-19-12-20(24(25)26)29-23(18)19;1-31-9-8-14(30-31)13-6-7-15(17(11-13)36(2,33)34)27-16-12-18(24)28-22-20(16)29-23(21(25)26)32(22)19-5-3-4-10-35-19;5-4(6)3-1-2-3/h8-11,13-14,16,24,26H,3-7,12,15H2,1-2H3,(H,31,32);5-10,13,24H,3-4,11-12H2,1-2H3,(H,27,28);6-9,11-12,19,21H,3-5,10H2,1-2H3,(H,27,28);3H,1-2H2,(H2,5,6)
InChIKeyAKWJFWNAYSPLAZ-UHFFFAOYSA-N
MW1706.29 g/mol
LogP14.33
Rot. Bonds24

About 5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone

5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone (PubChem CID 157147525) has the molecular formula C79H83ClF6N18O11S3 and a molecular weight of 1706.29 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone
PubChem CID157147525
Molecular FormulaC79H83ClF6N18O11S3
Molecular Weight1706.29 g/mol
Exact Mass1704.52
IUPAC Name5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone
SMILESCn1ccc(-c2ccc(Nc3cc(CC(=O)C4CC4)nc4c3N=C(C(F)F)C4)c(S(C)(=O)=O)c2)n1.Cn1ccc(-c2ccc(Nc3cc(CC(=O)C4CC4)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)n1.Cn1ccc(-c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)n1.NC(=O)C1CC1
InChIInChI=1S/C28H30F2N6O4S.C24H23F2N5O3S.C23H23ClF2N6O3S.C4H7NO/c1-35-11-10-19(34-35)17-8-9-20(23(13-17)41(2,38)39)32-21-14-18(15-22(37)16-6-7-16)31-27-25(21)33-28(26(29)30)36(27)24-5-3-4-12-40-24;1-31-8-7-16(30-31)14-5-6-17(22(9-14)35(2,33)34)28-18-10-15(11-21(32)13-3-4-13)27-19-12-20(24(25)26)29-23(18)19;1-31-9-8-14(30-31)13-6-7-15(17(11-13)36(2,33)34)27-16-12-18(24)28-22-20(16)29-23(21(25)26)32(22)19-5-3-4-10-35-19;5-4(6)3-1-2-3/h8-11,13-14,16,24,26H,3-7,12,15H2,1-2H3,(H,31,32);5-10,13,24H,3-4,11-12H2,1-2H3,(H,27,28);6-9,11-12,19,21H,3-5,10H2,1-2H3,(H,27,28);3H,1-2H2,(H2,5,6)
InChIKeyAKWJFWNAYSPLAZ-UHFFFAOYSA-N
XLogP14.33
TPSA374.33 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001706.29
LogP ≤ 514.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone?
The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone (CID 157147525) is 5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone is Cn1ccc(-c2ccc(Nc3cc(CC(=O)C4CC4)nc4c3N=C(C(F)F)C4)c(S(C)(=O)=O)c2)n1.Cn1ccc(-c2ccc(Nc3cc(CC(=O)C4CC4)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)n1.Cn1ccc(-c2ccc(Nc3cc(Cl)nc4c3nc(C(F)F)n4C3CCCCO3)c(S(C)(=O)=O)c2)n1.NC(=O)C1CC1.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone?
The InChIKey is AKWJFWNAYSPLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N6O4S.C24H23F2N5O3S.C23H23ClF2N6O3S.C4H7NO/c1-35-11-10-19(34-35)17-8-9-20(23(13-17)41(2,38)39)32-21-14-18(15-22(37)16-6-7-16)31-27-25(21)33-28(26(29)30)36(27)24-5-3-4-12-40-24;1-31-8-7-16(30-31)14-5-6-17(22(9-14)35(2,33)34)28-18-10-15(11-21(32)13-3-4-13)27-19-12-20(24(25)26)29-23(18)19;1-31-9-8-14(30-31)13-6-7-15(17(11-13)36(2,33)34)27-16-12-18(24)28-22-20(16)29-23(21(25)26)32(22)19-5-3-4-10-35-19;5-4(6)3-1-2-3/h8-11,13-14,16,24,26H,3-7,12,15H2,1-2H3,(H,31,32);5-10,13,24H,3-4,11-12H2,1-2H3,(H,27,28);6-9,11-12,19,21H,3-5,10H2,1-2H3,(H,27,28);3H,1-2H2,(H2,5,6).
What are the key properties of 5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone?
5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone has a molecular weight of 1706.29 g/mol, XLogP of 14.33, 24 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-N-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;cyclopropanecarboxamide;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone;1-cyclopropyl-2-[2-(difluoromethyl)-7-[4-(1-methylpyrazol-3-yl)-2-methylsulfonylanilino]-3H-pyrrolo[3,2-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 157147525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).