(2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide

C22H29F3N8O2 — CID 178139410

IUPAC(2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide
SMILES[2H]C([2H])([2H])n1cc(C[C@@H](N)C(=O)NC(C)(C)Cn2nc(C(F)(F)F)cc2-c2cnc(C(C)(C)O)nc2)cn1
InChIInChI=1S/C22H29F3N8O2/c1-20(2,30-18(34)15(26)6-13-8-29-32(5)11-13)12-33-16(7-17(31-33)22(23,24)25)14-9-27-19(28-10-14)21(3,4)35/h7-11,15,35H,6,12,26H2,1-5H3,(H,30,34)/t15-/m1/s1/i5D3
InChIKeyYRHNEHPIFADENJ-BSRWGDGLSA-N
MW497.54 g/mol
LogP1.78
Rot. Bonds9

About (2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide

(2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide (PubChem CID 178139410) has the molecular formula C22H29F3N8O2 and a molecular weight of 497.54 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide
PubChem CID178139410
Molecular FormulaC22H29F3N8O2
Molecular Weight497.54 g/mol
Exact Mass497.26
IUPAC Name(2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide
SMILES[2H]C([2H])([2H])n1cc(C[C@@H](N)C(=O)NC(C)(C)Cn2nc(C(F)(F)F)cc2-c2cnc(C(C)(C)O)nc2)cn1
InChIInChI=1S/C22H29F3N8O2/c1-20(2,30-18(34)15(26)6-13-8-29-32(5)11-13)12-33-16(7-17(31-33)22(23,24)25)14-9-27-19(28-10-14)21(3,4)35/h7-11,15,35H,6,12,26H2,1-5H3,(H,30,34)/t15-/m1/s1/i5D3
InChIKeyYRHNEHPIFADENJ-BSRWGDGLSA-N
XLogP1.78
TPSA136.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.54
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide with MolForge

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Related Compounds

(2R)-2-[5-(3-chloro-6-cyano-1-methylpyrazolo[4,3-b]pyridin-5-yl)-8-fluoro-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-[1-(difluoromethyl)pyrazol-4-yl]-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]propanamide
CID 178139757
3-bromo-2-(2-chloroethyl)-6-fluoro-N-[1-[[2-methyl-1-[5-(2-methylpyrimidin-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]amino]-1-oxo-3-(1,2-thiazol-4-yl)propan-2-yl]benzamide
CID 178139524
(2R)-2-amino-3-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]propanamide
CID 178139664
(2R)-2-[5-(6-cyano-1-methylindazol-5-yl)-8-fluoro-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-(1-methylpyrazol-4-yl)-N-[2-methyl-1-[5-(2H-triazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]propanamide;molecular hydrogen
CID 178139878
2-[5-(6-cyano-1H-indazol-5-yl)-8-fluoro-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-(1-methylpyrazol-4-yl)-N-[2-methyl-1-[5-(2H-triazol-4-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]propanamide
CID 178139364
2-[5-[1-[2-[[(2R)-2-[5-(6-cyano-3-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)-8-fluoro-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-[1-(difluoromethyl)pyrazol-4-yl]propanoyl]amino]-2-methylpropyl]-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-2-yl]propan-2-yl bis(prop-2-enyl) phosphate
CID 178139436
(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide
CID 91836285
(Z)-2,5-diamino-4-[(E)-1-fluoroethyliminomethyl]-N-[2-methyl-1-[5-[(3Z,5E)-7-methyl-2-oxonona-3,5-dien-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]pent-4-enamide
CID 178058065
(2R)-2-[5-(3,6-difluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)-8-fluoro-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-1-[5-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]propanamide
CID 178139812
(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride
CID 154903187
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-ol
CID 103312451

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide (CID 178139410) is (2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide is [2H]C([2H])([2H])n1cc(C[C@@H](N)C(=O)NC(C)(C)Cn2nc(C(F)(F)F)cc2-c2cnc(C(C)(C)O)nc2)cn1.
What is the InChIKey of (2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide?
The InChIKey is YRHNEHPIFADENJ-BSRWGDGLSA-N. The full InChI is InChI=1S/C22H29F3N8O2/c1-20(2,30-18(34)15(26)6-13-8-29-32(5)11-13)12-33-16(7-17(31-33)22(23,24)25)14-9-27-19(28-10-14)21(3,4)35/h7-11,15,35H,6,12,26H2,1-5H3,(H,30,34)/t15-/m1/s1/i5D3.
What are the key properties of (2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide?
(2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide has a molecular weight of 497.54 g/mol, XLogP of 1.78, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[5-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropan-2-yl]-3-[1-(trideuteriomethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 178139410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).