N-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide

C24H23FN6O2 — CID 59868881

IUPACN-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide
SMILESCC1(C)C(=O)Nc2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)NC5CC5)cc4)n3)cc21
InChIInChI=1S/C24H23FN6O2/c1-24(2)17-11-16(9-10-19(17)30-22(24)33)29-23-26-12-18(25)20(31-23)27-14-5-3-13(4-6-14)21(32)28-15-7-8-15/h3-6,9-12,15H,7-8H2,1-2H3,(H,28,32)(H,30,33)(H2,26,27,29,31)
InChIKeyNGANDSOVZITBJD-UHFFFAOYSA-N
MW446.49 g/mol
LogP4.22
Rot. Bonds6

About N-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide

N-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide (PubChem CID 59868881) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide
PubChem CID59868881
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC NameN-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide
SMILESCC1(C)C(=O)Nc2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)NC5CC5)cc4)n3)cc21
InChIInChI=1S/C24H23FN6O2/c1-24(2)17-11-16(9-10-19(17)30-22(24)33)29-23-26-12-18(25)20(31-23)27-14-5-3-13(4-6-14)21(32)28-15-7-8-15/h3-6,9-12,15H,7-8H2,1-2H3,(H,28,32)(H,30,33)(H2,26,27,29,31)
InChIKeyNGANDSOVZITBJD-UHFFFAOYSA-N
XLogP4.22
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide (CID 59868881) is N-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide is CC1(C)C(=O)Nc2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)NC5CC5)cc4)n3)cc21.
What is the InChIKey of N-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide?
The InChIKey is NGANDSOVZITBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-24(2)17-11-16(9-10-19(17)30-22(24)33)29-23-26-12-18(25)20(31-23)27-14-5-3-13(4-6-14)21(32)28-15-7-8-15/h3-6,9-12,15H,7-8H2,1-2H3,(H,28,32)(H,30,33)(H2,26,27,29,31).
What are the key properties of N-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide?
N-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide has a molecular weight of 446.49 g/mol, XLogP of 4.22, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)amino]-5-fluoropyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 59868881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).