4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide

C19H18ClFN4O3S — CID 145367735

IUPAC4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(SNC(=O)C(C)(C)O)cn2)cc2c(Cl)c(F)ccc21
InChIInChI=1S/C19H18ClFN4O3S/c1-19(2,28)18(27)24-29-10-4-7-15(22-9-10)23-17(26)14-8-11-13(25(14)3)6-5-12(21)16(11)20/h4-9,28H,1-3H3,(H,24,27)(H,22,23,26)
InChIKeyOMUXMACBIQLOAM-UHFFFAOYSA-N
MW436.90 g/mol
LogP3.51
Rot. Bonds5

About 4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide

4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide (PubChem CID 145367735) has the molecular formula C19H18ClFN4O3S and a molecular weight of 436.90 g/mol. Its IUPAC name is 4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide
PubChem CID145367735
Molecular FormulaC19H18ClFN4O3S
Molecular Weight436.90 g/mol
Exact Mass436.08
IUPAC Name4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(SNC(=O)C(C)(C)O)cn2)cc2c(Cl)c(F)ccc21
InChIInChI=1S/C19H18ClFN4O3S/c1-19(2,28)18(27)24-29-10-4-7-15(22-9-10)23-17(26)14-8-11-13(25(14)3)6-5-12(21)16(11)20/h4-9,28H,1-3H3,(H,24,27)(H,22,23,26)
InChIKeyOMUXMACBIQLOAM-UHFFFAOYSA-N
XLogP3.51
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide with MolForge

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Related Compounds

6-chloro-5-fluoro-N-[4-[(2-hydroxy-2-methylpropanoyl)amino]sulfanylphenyl]-1-methylindole-2-carboxamide
CID 145367754
2-[4-[(1S)-1-[(4-chloro-5-fluoro-1-methylindole-2-carbonyl)amino]-2-hydroxyethyl]phenyl]butanoic acid
CID 177063829
N-(5-chloro-2-pyridinyl)-4-(ethylamino)-3,5-difluorobenzamide
CID 63187369
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
N-(2,3-dichloro-1-methylpyrrolo[3,2-c]pyridin-6-yl)-4-(1,2-dihydroxypropan-2-yl)benzamide
CID 67354385
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630279
4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 130408598
N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide
CID 110833500

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide?
The IUPAC name of 4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide (CID 145367735) is 4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide is Cn1c(C(=O)Nc2ccc(SNC(=O)C(C)(C)O)cn2)cc2c(Cl)c(F)ccc21.
What is the InChIKey of 4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide?
The InChIKey is OMUXMACBIQLOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O3S/c1-19(2,28)18(27)24-29-10-4-7-15(22-9-10)23-17(26)14-8-11-13(25(14)3)6-5-12(21)16(11)20/h4-9,28H,1-3H3,(H,24,27)(H,22,23,26).
What are the key properties of 4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide?
4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-N-[5-[(2-hydroxy-2-methylpropanoyl)amino]sulfanyl-2-pyridinyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 145367735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).