1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

C25H23FN10O3S — CID 126623092

IUPAC1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3sc(-c4cnc5cc(C)nn5c4)nc32)n1
InChIInChI=1S/C25H23FN10O3S/c1-12-4-3-5-17(29-12)30-24(39)16-7-15(26)10-34(16)19(37)11-36-23-21(20(33-36)22(27)38)40-25(31-23)14-8-28-18-6-13(2)32-35(18)9-14/h3-6,8-9,15-16H,7,10-11H2,1-2H3,(H2,27,38)(H,29,30,39)/t15-,16+/m1/s1
InChIKeyWBLJZHJGAVSBBB-CVEARBPZSA-N
MW562.59 g/mol
LogP1.89
Rot. Bonds6

About 1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (PubChem CID 126623092) has the molecular formula C25H23FN10O3S and a molecular weight of 562.59 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
PubChem CID126623092
Molecular FormulaC25H23FN10O3S
Molecular Weight562.59 g/mol
Exact Mass562.17
IUPAC Name1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3sc(-c4cnc5cc(C)nn5c4)nc32)n1
InChIInChI=1S/C25H23FN10O3S/c1-12-4-3-5-17(29-12)30-24(39)16-7-15(26)10-34(16)19(37)11-36-23-21(20(33-36)22(27)38)40-25(31-23)14-8-28-18-6-13(2)32-35(18)9-14/h3-6,8-9,15-16H,7,10-11H2,1-2H3,(H2,27,38)(H,29,30,39)/t15-,16+/m1/s1
InChIKeyWBLJZHJGAVSBBB-CVEARBPZSA-N
XLogP1.89
TPSA166.29 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.59
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide 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 1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (CID 126623092) is 1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3sc(-c4cnc5cc(C)nn5c4)nc32)n1.
What is the InChIKey of 1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The InChIKey is WBLJZHJGAVSBBB-CVEARBPZSA-N. The full InChI is InChI=1S/C25H23FN10O3S/c1-12-4-3-5-17(29-12)30-24(39)16-7-15(26)10-34(16)19(37)11-36-23-21(20(33-36)22(27)38)40-25(31-23)14-8-28-18-6-13(2)32-35(18)9-14/h3-6,8-9,15-16H,7,10-11H2,1-2H3,(H2,27,38)(H,29,30,39)/t15-,16+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide has a molecular weight of 562.59 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 126623092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).