N-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide

C28H23ClFN7O3 — CID 123157716

IUPACN-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2(C(=O)NCc3ccc(-n4c(-c5noc(C)n5)c(Cl)c5cc(F)ccc54)cc3)CC2)cn1
InChIInChI=1S/C28H23ClFN7O3/c1-15-12-32-21(14-31-15)26(38)35-28(9-10-28)27(39)33-13-17-3-6-19(7-4-17)37-22-8-5-18(30)11-20(22)23(29)24(37)25-34-16(2)40-36-25/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,33,39)(H,35,38)
InChIKeyIZJUZWITLVPLBX-UHFFFAOYSA-N
MW559.99 g/mol
LogP4.46
Rot. Bonds7

About N-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide

N-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide (PubChem CID 123157716) has the molecular formula C28H23ClFN7O3 and a molecular weight of 559.99 g/mol. Its IUPAC name is N-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide
PubChem CID123157716
Molecular FormulaC28H23ClFN7O3
Molecular Weight559.99 g/mol
Exact Mass559.15
IUPAC NameN-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2(C(=O)NCc3ccc(-n4c(-c5noc(C)n5)c(Cl)c5cc(F)ccc54)cc3)CC2)cn1
InChIInChI=1S/C28H23ClFN7O3/c1-15-12-32-21(14-31-15)26(38)35-28(9-10-28)27(39)33-13-17-3-6-19(7-4-17)37-22-8-5-18(30)11-20(22)23(29)24(37)25-34-16(2)40-36-25/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,33,39)(H,35,38)
InChIKeyIZJUZWITLVPLBX-UHFFFAOYSA-N
XLogP4.46
TPSA127.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.99
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide (CID 123157716) is N-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NC2(C(=O)NCc3ccc(-n4c(-c5noc(C)n5)c(Cl)c5cc(F)ccc54)cc3)CC2)cn1.
What is the InChIKey of N-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is IZJUZWITLVPLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClFN7O3/c1-15-12-32-21(14-31-15)26(38)35-28(9-10-28)27(39)33-13-17-3-6-19(7-4-17)37-22-8-5-18(30)11-20(22)23(29)24(37)25-34-16(2)40-36-25/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,33,39)(H,35,38).
What are the key properties of N-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide?
N-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 559.99 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-[3-chloro-5-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methylcarbamoyl]cyclopropyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 123157716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).