N-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide

C21H24F3N7O3 — CID 68534958

IUPACN-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide
SMILESCN(CCNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C21H24F3N7O3/c1-30(20(33)31-6-8-34-9-7-31)5-4-25-18-15(21(22,23)24)12-26-19(29-18)27-14-2-3-16-13(10-14)11-17(32)28-16/h2-3,10,12H,4-9,11H2,1H3,(H,28,32)(H2,25,26,27,29)
InChIKeyPIILAKMGJDLWGH-UHFFFAOYSA-N
MW479.46 g/mol
LogP2.53
Rot. Bonds6

About N-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide

N-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide (PubChem CID 68534958) has the molecular formula C21H24F3N7O3 and a molecular weight of 479.46 g/mol. Its IUPAC name is N-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide
PubChem CID68534958
Molecular FormulaC21H24F3N7O3
Molecular Weight479.46 g/mol
Exact Mass479.19
IUPAC NameN-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide
SMILESCN(CCNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)C(=O)N1CCOCC1
InChIInChI=1S/C21H24F3N7O3/c1-30(20(33)31-6-8-34-9-7-31)5-4-25-18-15(21(22,23)24)12-26-19(29-18)27-14-2-3-16-13(10-14)11-17(32)28-16/h2-3,10,12H,4-9,11H2,1H3,(H,28,32)(H2,25,26,27,29)
InChIKeyPIILAKMGJDLWGH-UHFFFAOYSA-N
XLogP2.53
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide (CID 68534958) is N-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide is CN(CCNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)C(=O)N1CCOCC1.
What is the InChIKey of N-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide?
The InChIKey is PIILAKMGJDLWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7O3/c1-30(20(33)31-6-8-34-9-7-31)5-4-25-18-15(21(22,23)24)12-26-19(29-18)27-14-2-3-16-13(10-14)11-17(32)28-16/h2-3,10,12H,4-9,11H2,1H3,(H,28,32)(H2,25,26,27,29).
What are the key properties of N-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide?
N-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide has a molecular weight of 479.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 68534958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).