N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C54H51BrF2N12O2S2 — CID 157089864

IUPACN-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESC#Cc1sc(N(C)c2c(C3CC3)nn3cc(C)c(Br)cc23)nc1-c1ccc(F)cc1.Cc1cn2nc(C3CC3)c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c2cc1N1CCN(CC(=O)N2CC(O)C2)CC1
InChIInChI=1S/C31H33FN8O2S.C23H18BrFN4S/c1-19-15-40-25(13-24(19)38-11-9-37(10-12-38)18-27(42)39-16-23(41)17-39)30(29(35-40)21-3-4-21)36(2)31-34-28(26(14-33)43-31)20-5-7-22(32)8-6-20;1-4-19-20(14-7-9-16(25)10-8-14)26-23(30-19)28(3)22-18-11-17(24)13(2)12-29(18)27-21(22)15-5-6-15/h5-8,13,15,21,23,41H,3-4,9-12,16-18H2,1-2H3;1,7-12,15H,5-6H2,2-3H3
InChIKeyAENPYYFQQFSMGU-UHFFFAOYSA-N
MW1082.12 g/mol
LogP10.04
Rot. Bonds11

About N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 157089864) has the molecular formula C54H51BrF2N12O2S2 and a molecular weight of 1082.12 g/mol. Its IUPAC name is N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound NameN-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID157089864
Molecular FormulaC54H51BrF2N12O2S2
Molecular Weight1082.12 g/mol
Exact Mass1080.29
IUPAC NameN-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESC#Cc1sc(N(C)c2c(C3CC3)nn3cc(C)c(Br)cc23)nc1-c1ccc(F)cc1.Cc1cn2nc(C3CC3)c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c2cc1N1CCN(CC(=O)N2CC(O)C2)CC1
InChIInChI=1S/C31H33FN8O2S.C23H18BrFN4S/c1-19-15-40-25(13-24(19)38-11-9-37(10-12-38)18-27(42)39-16-23(41)17-39)30(29(35-40)21-3-4-21)36(2)31-34-28(26(14-33)43-31)20-5-7-22(32)8-6-20;1-4-19-20(14-7-9-16(25)10-8-14)26-23(30-19)28(3)22-18-11-17(24)13(2)12-29(18)27-21(22)15-5-6-15/h5-8,13,15,21,23,41H,3-4,9-12,16-18H2,1-2H3;1,7-12,15H,5-6H2,2-3H3
InChIKeyAENPYYFQQFSMGU-UHFFFAOYSA-N
XLogP10.04
TPSA137.67 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001082.12
LogP ≤ 510.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 157089864) is N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is C#Cc1sc(N(C)c2c(C3CC3)nn3cc(C)c(Br)cc23)nc1-c1ccc(F)cc1.Cc1cn2nc(C3CC3)c(N(C)c3nc(-c4ccc(F)cc4)c(C#N)s3)c2cc1N1CCN(CC(=O)N2CC(O)C2)CC1.
What is the InChIKey of N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is AENPYYFQQFSMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN8O2S.C23H18BrFN4S/c1-19-15-40-25(13-24(19)38-11-9-37(10-12-38)18-27(42)39-16-23(41)17-39)30(29(35-40)21-3-4-21)36(2)31-34-28(26(14-33)43-31)20-5-7-22(32)8-6-20;1-4-19-20(14-7-9-16(25)10-8-14)26-23(30-19)28(3)22-18-11-17(24)13(2)12-29(18)27-21(22)15-5-6-15/h5-8,13,15,21,23,41H,3-4,9-12,16-18H2,1-2H3;1,7-12,15H,5-6H2,2-3H3.
What are the key properties of N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 1082.12 g/mol, XLogP of 10.04, 11 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyclopropyl-6-methylpyrazolo[1,5-a]pyridin-3-yl)-5-ethynyl-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;2-[[2-cyclopropyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 157089864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).