[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone

C29H31FN8O2S — CID 155278081

IUPAC[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCCc1nn2c(C)cc(N3CCN(C(=O)c4cnco4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(NC)s1
InChIInChI=1S/C29H31FN8O2S/c1-5-22-26(35(4)29-33-25(27(31-3)41-29)19-6-8-20(30)9-7-19)23-15-21(14-18(2)38(23)34-22)36-10-12-37(13-11-36)28(39)24-16-32-17-40-24/h6-9,14-17,31H,5,10-13H2,1-4H3
InChIKeyNZKBSJBSYUGTGF-UHFFFAOYSA-N
MW574.69 g/mol
LogP5.23
Rot. Bonds7

About [4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone

[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 155278081) has the molecular formula C29H31FN8O2S and a molecular weight of 574.69 g/mol. Its IUPAC name is [4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID155278081
Molecular FormulaC29H31FN8O2S
Molecular Weight574.69 g/mol
Exact Mass574.23
IUPAC Name[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCCc1nn2c(C)cc(N3CCN(C(=O)c4cnco4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(NC)s1
InChIInChI=1S/C29H31FN8O2S/c1-5-22-26(35(4)29-33-25(27(31-3)41-29)19-6-8-20(30)9-7-19)23-15-21(14-18(2)38(23)34-22)36-10-12-37(13-11-36)28(39)24-16-32-17-40-24/h6-9,14-17,31H,5,10-13H2,1-4H3
InChIKeyNZKBSJBSYUGTGF-UHFFFAOYSA-N
XLogP5.23
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

2-[[2-ethyl-7-methyl-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267870
2-[[2-ethyl-7-methyl-5-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267776
2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267742
2-[[2-ethyl-5-[2-(2-hydroxyacetyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267682
2-[[2-ethyl-7-methyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267854
2-[[2-ethyl-7-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267741
tert-butyl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 152708592
2-[[5-[2-(2,2-dimethyl-1,3-dioxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 162392254
2-[[2-ethyl-5-[6-(3-hydroxyazetidine-1-carbonyl)-2-azaspiro[3.3]heptan-2-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
CID 157069138
2-[[2-ethyl-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-methylphenyl)-1,3-thiazole-5-carbonitrile
CID 158159138
4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid
CID 175436437
2-[[2-cyclopropyl-5-[4-[(2S)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267603

Frequently Asked Questions

What is the IUPAC name of [4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 155278081) is [4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone is CCc1nn2c(C)cc(N3CCN(C(=O)c4cnco4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(NC)s1.
What is the InChIKey of [4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is NZKBSJBSYUGTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN8O2S/c1-5-22-26(35(4)29-33-25(27(31-3)41-29)19-6-8-20(30)9-7-19)23-15-21(14-18(2)38(23)34-22)36-10-12-37(13-11-36)28(39)24-16-32-17-40-24/h6-9,14-17,31H,5,10-13H2,1-4H3.
What are the key properties of [4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone?
[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 574.69 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(methylamino)-1,3-thiazol-2-yl]-methylamino]-7-methylpyrazolo[1,5-a]pyridin-5-yl]piperazin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 155278081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).