(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

C20H26F5N7O2 — CID 178139664

IUPAC(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
SMILESCN1CCC(n2cc(C(F)(F)F)nc2CC(C)(C)NC(=O)[C@H](N)Cc2cnn(C(F)F)c2)C1=O
InChIInChI=1S/C20H26F5N7O2/c1-19(2,29-16(33)12(26)6-11-8-27-32(9-11)18(21)22)7-15-28-14(20(23,24)25)10-31(15)13-4-5-30(3)17(13)34/h8-10,12-13,18H,4-7,26H2,1-3H3,(H,29,33)/t12-,13?/m1/s1
InChIKeyDVQRQELAKPISHG-PZORYLMUSA-N
MW491.47 g/mol
LogP1.90
Rot. Bonds8

About (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

(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 (PubChem CID 178139664) has the molecular formula C20H26F5N7O2 and a molecular weight of 491.47 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID178139664
Molecular FormulaC20H26F5N7O2
Molecular Weight491.47 g/mol
Exact Mass491.21
IUPAC Name(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
SMILESCN1CCC(n2cc(C(F)(F)F)nc2CC(C)(C)NC(=O)[C@H](N)Cc2cnn(C(F)F)c2)C1=O
InChIInChI=1S/C20H26F5N7O2/c1-19(2,29-16(33)12(26)6-11-8-27-32(9-11)18(21)22)7-15-28-14(20(23,24)25)10-31(15)13-4-5-30(3)17(13)34/h8-10,12-13,18H,4-7,26H2,1-3H3,(H,29,33)/t12-,13?/m1/s1
InChIKeyDVQRQELAKPISHG-PZORYLMUSA-N
XLogP1.90
TPSA111.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

tert-butyl N-[2-[[2-methyl-1-[1-(1-methyl-2-oxopyrrolidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]propan-2-yl]amino]-2-oxoethyl]carbamate;1-(difluoromethyl)-4-methylpyrazole
CID 178139637
N-[1-[1-(6-cyanopyridazin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]-2-methylpropan-2-yl]-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]propanamide
CID 178139456
4-[1-(difluoromethyl)pyrazol-4-yl]-3-methylbutan-2-one
CID 178057972
(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
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106255831
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106255777
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 106259446
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 66750831
(2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide
CID 177043357
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
(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
3-[1-[2-[[(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]propanoyl]amino]-2-methylpropyl]-3-(trifluoromethyl)pyrazol-5-yl]benzoic acid
CID 178139399

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1CCC(n2cc(C(F)(F)F)nc2CC(C)(C)NC(=O)[C@H](N)Cc2cnn(C(F)F)c2)C1=O.
What is the InChIKey of (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?
The InChIKey is DVQRQELAKPISHG-PZORYLMUSA-N. The full InChI is InChI=1S/C20H26F5N7O2/c1-19(2,29-16(33)12(26)6-11-8-27-32(9-11)18(21)22)7-15-28-14(20(23,24)25)10-31(15)13-4-5-30(3)17(13)34/h8-10,12-13,18H,4-7,26H2,1-3H3,(H,29,33)/t12-,13?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 491.47 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 178139664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).