N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide

C28H24ClFN6O4 — CID 76555088

IUPACN-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NC2(C(=O)NC3CCc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)ccc43)CC2)cn1
InChIInChI=1S/C28H24ClFN6O4/c1-14-33-24(36-40-14)23-20(10-18(29)11-21(23)30)16-3-5-19-15(9-16)4-6-22(19)34-26(38)28(7-8-28)35-25(37)17-12-31-27(39-2)32-13-17/h3,5,9-13,22H,4,6-8H2,1-2H3,(H,34,38)(H,35,37)
InChIKeyWJLDXLVGJQBDFE-UHFFFAOYSA-N
MW562.99 g/mol
LogP4.37
Rot. Bonds7

About N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide

N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide (PubChem CID 76555088) has the molecular formula C28H24ClFN6O4 and a molecular weight of 562.99 g/mol. Its IUPAC name is N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide
PubChem CID76555088
Molecular FormulaC28H24ClFN6O4
Molecular Weight562.99 g/mol
Exact Mass562.15
IUPAC NameN-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NC2(C(=O)NC3CCc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)ccc43)CC2)cn1
InChIInChI=1S/C28H24ClFN6O4/c1-14-33-24(36-40-14)23-20(10-18(29)11-21(23)30)16-3-5-19-15(9-16)4-6-22(19)34-26(38)28(7-8-28)35-25(37)17-12-31-27(39-2)32-13-17/h3,5,9-13,22H,4,6-8H2,1-2H3,(H,34,38)(H,35,37)
InChIKeyWJLDXLVGJQBDFE-UHFFFAOYSA-N
XLogP4.37
TPSA132.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.99
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[3-[[(1R)-1-[4-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]carbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide
CID 57383007
2-Methoxy-pyrimidine-5-carboxylic acid (1-{(S)-5-[5-chloro-3-fluoro-2-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-indan-1-ylcarbamoyl}-cyclopropyl)-amide
CID 57523216
Pyrimidine-5-carboxylic acid (3-{(S)-5-[5-chloro-3-fluoro-2-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-indan-1-ylcarbamoyl}-oxetan-3-yl)-amide
CID 60141041
Pyrimidine-5-carboxylic acid (1-{(S)-5-[5-chloro-3-fluoro-2-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-indan-1-ylcarbamoyl}-cyclopropyl)-amide
CID 60142570
Pyridazine-4-carboxylic acid (1-{(S)-5-[5-chloro-3-fluoro-2-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-indan-1-ylcarbamoyl}-cyclopropyl)-amide
CID 60142703
2-Methoxy-pyrimidine-5-carboxylic acid (1-{(rac)-5-[5-chloro-3-fluoro-2-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-7-fluoro-indan-1-ylcarbamoyl}-cyclopropyl)-amide
CID 60142834
Pyridazine-4-carboxylic acid (1-{(rac)-5-[5-chloro-3-fluoro-2-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-7-fluoro-indan-1-ylcarbamoyl}-cyclopropyl)-amide
CID 60142835
2-Methoxy-pyrimidine-5-carboxylic acid(1-{(rac)-3-[5-chloro-3-fluoro-2-(5-methyl-[1,2,4]oxadiazol-3-yl)-phenyl]-6,7-dihydro-5H-[1]pyrindin-7-ylcarbamoyl}-cyclopropyl)-amide
CID 60143095
N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine
CID 162383892
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-amine
CID 166525651
1-[[4-[5-Chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]-3-[(2-methylpyrimidine-5-carbonyl)amino]urea
CID 70858867
N-[3-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]oxetan-3-yl]pyrimidine-5-carboxamide
CID 72661026

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide (CID 76555088) is N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide is COc1ncc(C(=O)NC2(C(=O)NC3CCc4cc(-c5cc(Cl)cc(F)c5-c5noc(C)n5)ccc43)CC2)cn1.
What is the InChIKey of N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide?
The InChIKey is WJLDXLVGJQBDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN6O4/c1-14-33-24(36-40-14)23-20(10-18(29)11-21(23)30)16-3-5-19-15(9-16)4-6-22(19)34-26(38)28(7-8-28)35-25(37)17-12-31-27(39-2)32-13-17/h3,5,9-13,22H,4,6-8H2,1-2H3,(H,34,38)(H,35,37).
What are the key properties of N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide?
N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide has a molecular weight of 562.99 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]cyclopropyl]-2-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 76555088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).