trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide

C23H25FN8O3S — CID 134456137

About trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide

trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide (PubChem CID 134456137) has the molecular formula C23H25FN8O3S and a molecular weight of 512.57 g/mol. Its IUPAC name is trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
• PubChem CID: 134456137
• Molecular Formula: C23H25FN8O3S
• Molecular Weight: 512.57 g/mol
• Exact Mass: 512.18
• IUPAC Name: trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
• SMILES: Cc1nc2nc(NC(=O)[C@H]3C[C@@H]3F)cc(Nc3ccc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)c2[nH]1
• InChI: InChI=1S/C23H25FN8O3S/c1-12-26-21-18(9-20(29-22(21)27-12)30-23(33)15-8-16(15)24)28-17-6-5-13(14-10-25-31(2)11-14)7-19(17)32(3)36(4,34)35/h5-7,9-11,15-16H,8H2,1-4H3,(H3,26,27,28,29,30,33)/t15-,16-/m0/s1
• InChIKey: AISSRUVSTYCERP-HOTGVXAUSA-N
• XLogP: 3.10
• TPSA: 137.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.57
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide (CID 134456137) is trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide is Cc1nc2nc(NC(=O)[C@H]3C[C@@H]3F)cc(Nc3ccc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)c2[nH]1.

What is the InChIKey of trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?

The InChIKey is AISSRUVSTYCERP-HOTGVXAUSA-N. The full InChI is InChI=1S/C23H25FN8O3S/c1-12-26-21-18(9-20(29-22(21)27-12)30-23(33)15-8-16(15)24)28-17-6-5-13(14-10-25-31(2)11-14)7-19(17)32(3)36(4,34)35/h5-7,9-11,15-16H,8H2,1-4H3,(H3,26,27,28,29,30,33)/t15-,16-/m0/s1.

What are the key properties of trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?

trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide has a molecular weight of 512.57 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134456137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).