1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C109H129FN30O10S — CID 157494718

About 1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 157494718) has the molecular formula C109H129FN30O10S and a molecular weight of 2070.50 g/mol. Its IUPAC name is 1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 157494718
• Molecular Formula: C109H129FN30O10S
• Molecular Weight: 2070.50 g/mol
• Exact Mass: 2069.02
• IUPAC Name: 1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CC2COC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CCS(C)(=O)=O)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2C[C@@H]2C[C@H]2F)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2[C@@H]2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2[C@H]2CCOC2)C1
• InChI: InChI=1S/C22H25FN6O.3C22H26N6O2.C21H26N6O3S/c1-14(30)28-8-7-21-19(13-28)22(26-29(21)12-16-9-20(16)23)25-18-5-3-15(4-6-18)17-10-24-27(2)11-17;2*1-15(29)27-9-7-21-20(13-27)22(25-28(21)19-8-10-30-14-19)24-18-5-3-16(4-6-18)17-11-23-26(2)12-17;1-15(29)27-8-7-21-20(12-27)22(25-28(21)10-16-13-30-14-16)24-19-5-3-17(4-6-19)18-9-23-26(2)11-18;1-15(28)26-9-8-20-19(14-26)21(24-27(20)10-11-31(3,29)30)23-18-6-4-16(5-7-18)17-12-22-25(2)13-17/h3-6,10-11,16,20H,7-9,12-13H2,1-2H3,(H,25,26);2*3-6,11-12,19H,7-10,13-14H2,1-2H3,(H,24,25);3-6,9,11,16H,7-8,10,12-14H2,1-2H3,(H,24,25);4-7,12-13H,8-11,14H2,1-3H3,(H,23,24)/t16-,20+;2*19-;;/m010../s1
• InChIKey: BXRPFBILZPVSRK-FBCPSHAYSA-N
• XLogP: 13.63
• TPSA: 401.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.50
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 157494718) is 1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CC2COC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CCS(C)(=O)=O)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2C[C@@H]2C[C@H]2F)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2[C@@H]2CCOC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2[C@H]2CCOC2)C1.

What is the InChIKey of 1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is BXRPFBILZPVSRK-FBCPSHAYSA-N. The full InChI is InChI=1S/C22H25FN6O.3C22H26N6O2.C21H26N6O3S/c1-14(30)28-8-7-21-19(13-28)22(26-29(21)12-16-9-20(16)23)25-18-5-3-15(4-6-18)17-10-24-27(2)11-17;2*1-15(29)27-9-7-21-20(13-27)22(25-28(21)19-8-10-30-14-19)24-18-5-3-16(4-6-18)17-11-23-26(2)12-17;1-15(29)27-8-7-21-20(12-27)22(25-28(21)10-16-13-30-14-16)24-19-5-3-17(4-6-19)18-9-23-26(2)11-18;1-15(28)26-9-8-20-19(14-26)21(24-27(20)10-11-31(3,29)30)23-18-6-4-16(5-7-18)17-12-22-25(2)13-17/h3-6,10-11,16,20H,7-9,12-13H2,1-2H3,(H,25,26);2*3-6,11-12,19H,7-10,13-14H2,1-2H3,(H,24,25);3-6,9,11,16H,7-8,10,12-14H2,1-2H3,(H,24,25);4-7,12-13H,8-11,14H2,1-3H3,(H,23,24)/t16-,20+;2*19-;;/m010../s1.

What are the key properties of 1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 2070.50 g/mol, XLogP of 13.63, 24 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[[(1S,2R)-2-fluorocyclopropyl]methyl]-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 157494718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).