N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

C23H21ClFN5O2 — CID 134479642

IUPACN-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCC1=NN(c2ccc(F)cc2Cl)C(=O)C12CCC(NC(=O)c1ccc3cc[nH]c3n1)CC2
InChIInChI=1S/C23H21ClFN5O2/c1-13-23(22(32)30(29-13)19-5-3-15(25)12-17(19)24)9-6-16(7-10-23)27-21(31)18-4-2-14-8-11-26-20(14)28-18/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,26,28)(H,27,31)
InChIKeyNHUNLPXHUSQFFN-UHFFFAOYSA-N
MW453.91 g/mol
LogP4.44
Rot. Bonds3

About N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 134479642) has the molecular formula C23H21ClFN5O2 and a molecular weight of 453.91 g/mol. Its IUPAC name is N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID134479642
Molecular FormulaC23H21ClFN5O2
Molecular Weight453.91 g/mol
Exact Mass453.14
IUPAC NameN-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCC1=NN(c2ccc(F)cc2Cl)C(=O)C12CCC(NC(=O)c1ccc3cc[nH]c3n1)CC2
InChIInChI=1S/C23H21ClFN5O2/c1-13-23(22(32)30(29-13)19-5-3-15(25)12-17(19)24)9-6-16(7-10-23)27-21(31)18-4-2-14-8-11-26-20(14)28-18/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,26,28)(H,27,31)
InChIKeyNHUNLPXHUSQFFN-UHFFFAOYSA-N
XLogP4.44
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.91
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-4-methylpyridine-2-carboxamide
CID 134479417
6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide
CID 142335942
5-bromo-N-[3-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 134479473
N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122672295
5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679177
tert-butyl-[2-[3-(2-chloro-4-fluorophenyl)-8-hydroxy-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-7-yl]phenyl]-phenylsilanide
CID 142335972
4-N-[(5R)-1-(2-chloro-4-fluorophenyl)-2-oxoazonan-5-yl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 134556634
5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 53308745
6-N-cyclohexyl-2-N-(2,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109095391
6-N-cyclopentyl-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109095033
1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide
CID 122672535
N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide
CID 134465621

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide (CID 134479642) is N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide is CC1=NN(c2ccc(F)cc2Cl)C(=O)C12CCC(NC(=O)c1ccc3cc[nH]c3n1)CC2.
What is the InChIKey of N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is NHUNLPXHUSQFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O2/c1-13-23(22(32)30(29-13)19-5-3-15(25)12-17(19)24)9-6-16(7-10-23)27-21(31)18-4-2-14-8-11-26-20(14)28-18/h2-5,8,11-12,16H,6-7,9-10H2,1H3,(H,26,28)(H,27,31).
What are the key properties of N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 453.91 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-4-fluorophenyl)-1-methyl-4-oxo-2,3-diazaspiro[4.5]dec-1-en-8-yl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 134479642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).