N-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen

C19H30F4N6O2 — CID 160969090

IUPACN-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen
SMILESCC(C)[C@@H](Nc1nc(-c2c[nH]c(C(=O)NC3CC3)c2)ncc1F)C(=O)NCC(F)(F)F.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H22F4N6O2.4H2/c1-9(2)14(18(31)26-8-19(21,22)23)28-16-12(20)7-25-15(29-16)10-5-13(24-6-10)17(30)27-11-3-4-11;;;;/h5-7,9,11,14,24H,3-4,8H2,1-2H3,(H,26,31)(H,27,30)(H,25,28,29);4*1H/t14-;;;;/m1..../s1
InChIKeySYAFYAOYTRGQBS-WGVOJFRMSA-N
MW450.48 g/mol
LogP3.60
Rot. Bonds8

About N-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen

N-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen (PubChem CID 160969090) has the molecular formula C19H30F4N6O2 and a molecular weight of 450.48 g/mol. Its IUPAC name is N-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen
PubChem CID160969090
Molecular FormulaC19H30F4N6O2
Molecular Weight450.48 g/mol
Exact Mass450.24
IUPAC NameN-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen
SMILESCC(C)[C@@H](Nc1nc(-c2c[nH]c(C(=O)NC3CC3)c2)ncc1F)C(=O)NCC(F)(F)F.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H22F4N6O2.4H2/c1-9(2)14(18(31)26-8-19(21,22)23)28-16-12(20)7-25-15(29-16)10-5-13(24-6-10)17(30)27-11-3-4-11;;;;/h5-7,9,11,14,24H,3-4,8H2,1-2H3,(H,26,31)(H,27,30)(H,25,28,29);4*1H/t14-;;;;/m1..../s1
InChIKeySYAFYAOYTRGQBS-WGVOJFRMSA-N
XLogP3.60
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxylic acid;molecular hydrogen
CID 159756106
N-(cyclopropylmethyl)-4-[4-[[(3R)-7,7,7-trifluoro-2-methyl-4-oxoheptan-3-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen
CID 158630067
(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen
CID 159375621
(2R)-2-[[2-(4-methoxyphenyl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 59374463
2-[[5-fluoro-2-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 59374426
(2R)-2-[[2-(2-amino-1,3-benzothiazol-6-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen
CID 160817471
(2R)-2-[[2-[5-amino-3-(4-methoxyanilino)-1,2,4-triazol-1-yl]-5-fluoropyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen
CID 160805345
(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pentanamide
CID 24885067
(2S)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pentanamide
CID 154487779
(2R)-2-[[4-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,5-triazin-2-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 59422358
3-[6-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 54576472
(2S)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]-4-cyano-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen
CID 158782295

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen?
The IUPAC name of N-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen (CID 160969090) is N-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen is CC(C)[C@@H](Nc1nc(-c2c[nH]c(C(=O)NC3CC3)c2)ncc1F)C(=O)NCC(F)(F)F.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen?
The InChIKey is SYAFYAOYTRGQBS-WGVOJFRMSA-N. The full InChI is InChI=1S/C19H22F4N6O2.4H2/c1-9(2)14(18(31)26-8-19(21,22)23)28-16-12(20)7-25-15(29-16)10-5-13(24-6-10)17(30)27-11-3-4-11;;;;/h5-7,9,11,14,24H,3-4,8H2,1-2H3,(H,26,31)(H,27,30)(H,25,28,29);4*1H/t14-;;;;/m1..../s1.
What are the key properties of N-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen?
N-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen has a molecular weight of 450.48 g/mol, XLogP of 3.60, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[5-fluoro-4-[[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]amino]pyrimidin-2-yl]-1H-pyrrole-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 160969090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).