[2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone

C19H14F2N4O — CID 109266122

IUPAC[2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cnc(Nc2ccc(F)cc2F)nc1)N1CCc2ccccc21
InChIInChI=1S/C19H14F2N4O/c20-14-5-6-16(15(21)9-14)24-19-22-10-13(11-23-19)18(26)25-8-7-12-3-1-2-4-17(12)25/h1-6,9-11H,7-8H2,(H,22,23,24)
InChIKeyMONROXYJDDCDCU-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.70
Rot. Bonds3

About [2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone

[2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 109266122) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID109266122
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name[2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cnc(Nc2ccc(F)cc2F)nc1)N1CCc2ccccc21
InChIInChI=1S/C19H14F2N4O/c20-14-5-6-16(15(21)9-14)24-19-22-10-13(11-23-19)18(26)25-8-7-12-3-1-2-4-17(12)25/h1-6,9-11H,7-8H2,(H,22,23,24)
InChIKeyMONROXYJDDCDCU-UHFFFAOYSA-N
XLogP3.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[2-(2-methylanilino)pyrimidin-5-yl]methanone
CID 109265381
(2-anilinopyrimidin-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 109265177
2,3-dihydroindol-1-yl-[2-(2,4,6-trimethylanilino)pyrimidin-5-yl]methanone
CID 109266071
2,3-dihydroindol-1-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
CID 109266139
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266253
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266119
[2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109266246
2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266092
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide
CID 109150603
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109266112
2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109255992

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone (CID 109266122) is [2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1cnc(Nc2ccc(F)cc2F)nc1)N1CCc2ccccc21.
What is the InChIKey of [2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is MONROXYJDDCDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c20-14-5-6-16(15(21)9-14)24-19-22-10-13(11-23-19)18(26)25-8-7-12-3-1-2-4-17(12)25/h1-6,9-11H,7-8H2,(H,22,23,24).
What are the key properties of [2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone?
[2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 352.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109266122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).