(2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C58H65ClF2N14O4S2 — CID 157430033

About (2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

(2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 157430033) has the molecular formula C58H65ClF2N14O4S2 and a molecular weight of 1159.83 g/mol. Its IUPAC name is (2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: (2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 157430033
• Molecular Formula: C58H65ClF2N14O4S2
• Molecular Weight: 1159.83 g/mol
• Exact Mass: 1158.44
• IUPAC Name: (2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: Cc1cc(N2CCN(C[C@@H](O)CO)CC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCNCC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.OC[C@H](O)CCl
• InChI: InChI=1S/C29H32FN7O2S.C26H26FN7S.C3H7ClO2/c1-18-13-22(36-11-9-35(10-12-36)16-23(39)17-38)14-24-28(27(20-3-4-20)33-37(18)24)34(2)29-32-26(25(15-31)40-29)19-5-7-21(30)8-6-19;1-16-13-20(33-11-9-29-10-12-33)14-21-25(24(18-3-4-18)31-34(16)21)32(2)26-30-23(22(15-28)35-26)17-5-7-19(27)8-6-17;4-1-3(6)2-5/h5-8,13-14,20,23,38-39H,3-4,9-12,16-17H2,1-2H3;5-8,13-14,18,29H,3-4,9-12H2,1-2H3;3,5-6H,1-2H2/t23-;;3-/m1.1/s1
• InChIKey: BQKMRXVUTHIRFM-LJFYWTRASA-N
• XLogP: 8.31
• TPSA: 217.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1159.83
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of (2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 157430033) is (2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for (2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for (2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is Cc1cc(N2CCN(C[C@@H](O)CO)CC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.Cc1cc(N2CCNCC2)cc2c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c(C3CC3)nn12.OC[C@H](O)CCl.

What is the InChIKey of (2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is BQKMRXVUTHIRFM-LJFYWTRASA-N. The full InChI is InChI=1S/C29H32FN7O2S.C26H26FN7S.C3H7ClO2/c1-18-13-22(36-11-9-35(10-12-36)16-23(39)17-38)14-24-28(27(20-3-4-20)33-37(18)24)34(2)29-32-26(25(15-31)40-29)19-5-7-21(30)8-6-19;1-16-13-20(33-11-9-29-10-12-33)14-21-25(24(18-3-4-18)31-34(16)21)32(2)26-30-23(22(15-28)35-26)17-5-7-19(27)8-6-17;4-1-3(6)2-5/h5-8,13-14,20,23,38-39H,3-4,9-12,16-17H2,1-2H3;5-8,13-14,18,29H,3-4,9-12H2,1-2H3;3,5-6H,1-2H2/t23-;;3-/m1.1/s1.

What are the key properties of (2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

(2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 1159.83 g/mol, XLogP of 8.31, 15 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-chloropropane-1,2-diol;2-[[2-cyclopropyl-5-[4-[(2R)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-cyclopropyl-7-methyl-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 157430033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).