(3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide

C25H27F4N7O3 — CID 146226305

IUPAC(3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(-c2cnc(N(C)C)nc2)n1
InChIInChI=1S/C25H27F4N7O3/c1-13-18(12-30-21(13)37)22(38)33-20-9-19(36(34-20)16-10-31-23(32-11-16)35(4)5)14-6-15(26)8-17(7-14)39-24(2,3)25(27,28)29/h6-11,13,18H,12H2,1-5H3,(H,30,37)(H,33,34,38)/t13-,18+/m1/s1
InChIKeyJHQFFIUOCINSQG-ACJLOTCBSA-N
MW549.53 g/mol
LogP3.57
Rot. Bonds7

About (3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide

(3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 146226305) has the molecular formula C25H27F4N7O3 and a molecular weight of 549.53 g/mol. Its IUPAC name is (3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID146226305
Molecular FormulaC25H27F4N7O3
Molecular Weight549.53 g/mol
Exact Mass549.21
IUPAC Name(3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(-c2cnc(N(C)C)nc2)n1
InChIInChI=1S/C25H27F4N7O3/c1-13-18(12-30-21(13)37)22(38)33-20-9-19(36(34-20)16-10-31-23(32-11-16)35(4)5)14-6-15(26)8-17(7-14)39-24(2,3)25(27,28)29/h6-11,13,18H,12H2,1-5H3,(H,30,37)(H,33,34,38)/t13-,18+/m1/s1
InChIKeyJHQFFIUOCINSQG-ACJLOTCBSA-N
XLogP3.57
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-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

Related Compounds

Acrizanib
CID 59394698
4-N-ethyl-5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 165414843
5-N-[2-[3-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,1-trimethylpyrazole-4,5-dicarboxamide
CID 165414856
N-(3-methoxybenzyl)-1-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}piperidine-4-carboxamide
CID 3235932
N-(1-methyl-1H-pyrazol-3-yl)-1-(3-(trifluoromethoxy)benzyl)-1H-imidazole-4-carboxamide
CID 53321551
(4S)-1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methylpyrrolidin-2-one
CID 164616532
(4R)-1-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-4-methylpyrrolidin-2-one
CID 164628634
2-(Dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone
CID 66598119
4-(Aminomethyl)-1-(3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-yl)piperidin-2-one
CID 66598154
2-Hydroxy-2-methyl-1-(4-(((3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)methyl)piperidin-1-yl)propan-1-one
CID 66598164
(3R,4R)-4-Methyl-5-oxopyrrolidine-3-carboxylic acid[1-(4-fluorophenyl)-5-(3-(trifluoromethoxy)phenyl)-1H-pyrazol-3-yl]amide
CID 71287729
(3R,4R)-4-Methyl-5-oxopyrrolidine-3-carboxylic acid[1-(3-fluorophenyl)-5-(3-(trifluoromethoxy)phenyl)-1H-pyrazol-3-yl]amide
CID 71287825

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide (CID 146226305) is (3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide is C[C@H]1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(-c2cnc(N(C)C)nc2)n1.
What is the InChIKey of (3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JHQFFIUOCINSQG-ACJLOTCBSA-N. The full InChI is InChI=1S/C25H27F4N7O3/c1-13-18(12-30-21(13)37)22(38)33-20-9-19(36(34-20)16-10-31-23(32-11-16)35(4)5)14-6-15(26)8-17(7-14)39-24(2,3)25(27,28)29/h6-11,13,18H,12H2,1-5H3,(H,30,37)(H,33,34,38)/t13-,18+/m1/s1.
What are the key properties of (3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?
(3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 549.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-[1-[2-(dimethylamino)pyrimidin-5-yl]-5-[3-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 146226305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).