N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide

C17H15ClFIN4O2S — CID 66999055

IUPACN-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide
SMILESCc1ncc2c(Cl)c(Nc3ccc(I)cc3F)c(NS(=O)(=O)C3CC3)cn12
InChIInChI=1S/C17H15ClFIN4O2S/c1-9-21-7-15-16(18)17(22-13-5-2-10(20)6-12(13)19)14(8-24(9)15)23-27(25,26)11-3-4-11/h2,5-8,11,22-23H,3-4H2,1H3
InChIKeyGBPKCZFVQRRJLS-UHFFFAOYSA-N
MW520.76 g/mol
LogP4.69
Rot. Bonds5

About N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide

N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide (PubChem CID 66999055) has the molecular formula C17H15ClFIN4O2S and a molecular weight of 520.76 g/mol. Its IUPAC name is N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide
PubChem CID66999055
Molecular FormulaC17H15ClFIN4O2S
Molecular Weight520.76 g/mol
Exact Mass519.96
IUPAC NameN-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide
SMILESCc1ncc2c(Cl)c(Nc3ccc(I)cc3F)c(NS(=O)(=O)C3CC3)cn12
InChIInChI=1S/C17H15ClFIN4O2S/c1-9-21-7-15-16(18)17(22-13-5-2-10(20)6-12(13)19)14(8-24(9)15)23-27(25,26)11-3-4-11/h2,5-8,11,22-23H,3-4H2,1H3
InChIKeyGBPKCZFVQRRJLS-UHFFFAOYSA-N
XLogP4.69
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.76
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 5-(cyclopropylsulfonylamino)-4-(2-fluoro-4-iodoanilino)indazole-1-carboxylate
CID 67083644
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxy-5-methylphenyl]cyclobutanesulfonamide
CID 163679019
N-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]cyclopentanesulfonamide
CID 143399893
N-[3-[6-cyclopropyl-4-(2-fluoro-4-iodoanilino)-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]cyclopropanesulfonamide
CID 146543727
N-[4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[3-(methanesulfonamido)phenoxy]phenyl]cyclopropanesulfonamide
CID 52913947
2-(2,4-dichlorophenyl)-N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]cyclopropane-1-sulfonamide
CID 70828478
N-[5-chloro-2-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropanesulfonamide
CID 91455769
N-[2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxo-5-propyl-3-pyridinyl]cyclobutanesulfonamide
CID 90047945
N-[3-[6-cyclopropyl-3-fluoro-4-(2-fluoro-4-iodoanilino)-1-methyl-2,5-dioxopyrido[2,3-d]pyridazin-8-yl]phenyl]cyclopropanesulfonamide
CID 135210935
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide
CID 53492153
8-chloro-4-cyclopropylsulfonyl-6-(2-fluoro-4-iodophenyl)-12-methyl-1,4,6,10,11-pentazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-5-one
CID 59519422
N-[3-[6-ethyl-3-fluoro-4-(2-fluoro-4-iodoanilino)-1-methyl-2,5-dioxopyrido[2,3-d]pyridazin-8-yl]phenyl]cyclopropanesulfonamide
CID 86581590

Frequently Asked Questions

What is the IUPAC name of N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide?
The IUPAC name of N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide (CID 66999055) is N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide is Cc1ncc2c(Cl)c(Nc3ccc(I)cc3F)c(NS(=O)(=O)C3CC3)cn12.
What is the InChIKey of N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide?
The InChIKey is GBPKCZFVQRRJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFIN4O2S/c1-9-21-7-15-16(18)17(22-13-5-2-10(20)6-12(13)19)14(8-24(9)15)23-27(25,26)11-3-4-11/h2,5-8,11,22-23H,3-4H2,1H3.
What are the key properties of N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide?
N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide has a molecular weight of 520.76 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-chloro-7-(2-fluoro-4-iodoanilino)-3-methylimidazo[1,5-a]pyridin-6-yl]cyclopropanesulfonamide is sourced from PubChem (CID 66999055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).