5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C22H23F2N7O2S — CID 74983215

IUPAC5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C22H23F2N7O2S/c1-30-20(31-9-6-22(7-10-31)5-8-26-21(22)33)14(11-27-30)28-18(32)16-17(25)34-19(29-16)15-12(23)3-2-4-13(15)24/h2-4,11H,5-10,25H2,1H3,(H,26,33)(H,28,32)
InChIKeyGKYROPFVUMFYSA-UHFFFAOYSA-N
MW487.54 g/mol
LogP2.76
Rot. Bonds4

About 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 74983215) has the molecular formula C22H23F2N7O2S and a molecular weight of 487.54 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID74983215
Molecular FormulaC22H23F2N7O2S
Molecular Weight487.54 g/mol
Exact Mass487.16
IUPAC Name5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C22H23F2N7O2S/c1-30-20(31-9-6-22(7-10-31)5-8-26-21(22)33)14(11-27-30)28-18(32)16-17(25)34-19(29-16)15-12(23)3-2-4-13(15)24/h2-4,11H,5-10,25H2,1H3,(H,26,33)(H,28,32)
InChIKeyGKYROPFVUMFYSA-UHFFFAOYSA-N
XLogP2.76
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 74983215) is 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC2(CCNC2=O)CC1.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is GKYROPFVUMFYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N7O2S/c1-30-20(31-9-6-22(7-10-31)5-8-26-21(22)33)14(11-27-30)28-18(32)16-17(25)34-19(29-16)15-12(23)3-2-4-13(15)24/h2-4,11H,5-10,25H2,1H3,(H,26,33)(H,28,32).
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 74983215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).