N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide

C24H23FN4O — CID 164616763

IUPACN-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide
SMILESCc1nccc(N2CCc3cc(C4(C(=O)Nc5ccc(F)cc5)CCC4)ccc32)n1
InChIInChI=1S/C24H23FN4O/c1-16-26-13-9-22(27-16)29-14-10-17-15-18(3-8-21(17)29)24(11-2-12-24)23(30)28-20-6-4-19(25)5-7-20/h3-9,13,15H,2,10-12,14H2,1H3,(H,28,30)
InChIKeyOWPHIOVIJWGOPL-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.68
Rot. Bonds4

About N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide

N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide (PubChem CID 164616763) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide
PubChem CID164616763
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC NameN-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide
SMILESCc1nccc(N2CCc3cc(C4(C(=O)Nc5ccc(F)cc5)CCC4)ccc32)n1
InChIInChI=1S/C24H23FN4O/c1-16-26-13-9-22(27-16)29-14-10-17-15-18(3-8-21(17)29)24(11-2-12-24)23(30)28-20-6-4-19(25)5-7-20/h3-9,13,15H,2,10-12,14H2,1H3,(H,28,30)
InChIKeyOWPHIOVIJWGOPL-UHFFFAOYSA-N
XLogP4.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide (CID 164616763) is N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide is Cc1nccc(N2CCc3cc(C4(C(=O)Nc5ccc(F)cc5)CCC4)ccc32)n1.
What is the InChIKey of N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide?
The InChIKey is OWPHIOVIJWGOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-16-26-13-9-22(27-16)29-14-10-17-15-18(3-8-21(17)29)24(11-2-12-24)23(30)28-20-6-4-19(25)5-7-20/h3-9,13,15H,2,10-12,14H2,1H3,(H,28,30).
What are the key properties of N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide?
N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[1-(2-methylpyrimidin-4-yl)-2,3-dihydroindol-5-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 164616763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).