1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide

C18H17ClFN3O2 — CID 176656722

IUPAC1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide
SMILESNC(=O)c1ccc2c(n1)C1(CCOCC1)CN2c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H17ClFN3O2/c19-12-2-1-11(9-13(12)20)23-10-18(5-7-25-8-6-18)16-15(23)4-3-14(22-16)17(21)24/h1-4,9H,5-8,10H2,(H2,21,24)
InChIKeyZZYXNJHGULHQLY-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.17
Rot. Bonds2

About 1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide

1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide (PubChem CID 176656722) has the molecular formula C18H17ClFN3O2 and a molecular weight of 361.80 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide
PubChem CID176656722
Molecular FormulaC18H17ClFN3O2
Molecular Weight361.80 g/mol
Exact Mass361.10
IUPAC Name1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide
SMILESNC(=O)c1ccc2c(n1)C1(CCOCC1)CN2c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H17ClFN3O2/c19-12-2-1-11(9-13(12)20)23-10-18(5-7-25-8-6-18)16-15(23)4-3-14(22-16)17(21)24/h1-4,9H,5-8,10H2,(H2,21,24)
InChIKeyZZYXNJHGULHQLY-UHFFFAOYSA-N
XLogP3.17
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-3-fluorophenyl)-3-ethyl-3-methyl-2H-pyrrolo[3,2-b]pyridine-5-carboxamide
CID 170606516
methyl 1-[1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-5-carbonyl]-3,3-dimethylpiperidine-4-carboxylate
CID 170606502
methyl 1'-(4-chloro-3-fluorophenyl)-2'-oxospiro[oxane-4,3'-pyrrolo[3,2-b]pyridine]-5'-carboxylate
CID 176656711
8-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 170606143
[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-5-yl]-(2,2-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 170606548
6-[4-[1-(4-chloro-3-fluorophenyl)-3'-methoxyspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,4-dimethylpyridine-3-carboxylic acid
CID 175970339
2-[4-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-3,3-dimethylpiperazin-1-yl]pyrimidine-5-carboxylic acid;hydrochloride
CID 170606181
2-[4-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-3,3-dimethylpiperazin-1-yl]pyridine-4-carboxylic acid
CID 170606142
methyl 2-[6-[4-[1-(4-chloro-3-fluorophenyl)-3'-methylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclobutane]-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]acetate
CID 176656715
2-[6-[4-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]-3,3-dimethylpiperazin-1-yl]-3-pyridinyl]propanoic acid
CID 170606139
5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxamide
CID 83241101
ethyl 6-[[1-[1-(4-chloro-3-fluorophenyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-5-carbonyl]piperidin-3-yl]-methylamino]pyridine-3-carboxylate
CID 170606519

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide (CID 176656722) is 1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide is NC(=O)c1ccc2c(n1)C1(CCOCC1)CN2c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide?
The InChIKey is ZZYXNJHGULHQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2/c19-12-2-1-11(9-13(12)20)23-10-18(5-7-25-8-6-18)16-15(23)4-3-14(22-16)17(21)24/h1-4,9H,5-8,10H2,(H2,21,24).
What are the key properties of 1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide?
1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide has a molecular weight of 361.80 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane]-5-carboxamide is sourced from PubChem (CID 176656722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).