5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C24H25ClFN3O2 — CID 53308745

IUPAC5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(CN2C(=O)C3(CC3)c3cc(F)ccc32)CC1
InChIInChI=1S/C24H25ClFN3O2/c1-14-19(10-16(25)12-27-14)22(30)28-18-5-2-15(3-6-18)13-29-21-7-4-17(26)11-20(21)24(8-9-24)23(29)31/h4,7,10-12,15,18H,2-3,5-6,8-9,13H2,1H3,(H,28,30)
InChIKeyIMAXYSCPKOIFBE-UHFFFAOYSA-N
MW441.93 g/mol
LogP4.55
Rot. Bonds4

About 5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 53308745) has the molecular formula C24H25ClFN3O2 and a molecular weight of 441.93 g/mol. Its IUPAC name is 5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID53308745
Molecular FormulaC24H25ClFN3O2
Molecular Weight441.93 g/mol
Exact Mass441.16
IUPAC Name5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(CN2C(=O)C3(CC3)c3cc(F)ccc32)CC1
InChIInChI=1S/C24H25ClFN3O2/c1-14-19(10-16(25)12-27-14)22(30)28-18-5-2-15(3-6-18)13-29-21-7-4-17(26)11-20(21)24(8-9-24)23(29)31/h4,7,10-12,15,18H,2-3,5-6,8-9,13H2,1H3,(H,28,30)
InChIKeyIMAXYSCPKOIFBE-UHFFFAOYSA-N
XLogP4.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.93
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 53308745) is 5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(CN2C(=O)C3(CC3)c3cc(F)ccc32)CC1.
What is the InChIKey of 5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is IMAXYSCPKOIFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O2/c1-14-19(10-16(25)12-27-14)22(30)28-18-5-2-15(3-6-18)13-29-21-7-4-17(26)11-20(21)24(8-9-24)23(29)31/h4,7,10-12,15,18H,2-3,5-6,8-9,13H2,1H3,(H,28,30).
What are the key properties of 5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 441.93 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 53308745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).