2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide

C22H23ClF2N4O — CID 164554075

IUPAC2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide
SMILESCc1cc(NC(=O)CNc2c[nH]c3ccc(Cl)cc23)cnc1C1CCC(F)(F)CC1
InChIInChI=1S/C22H23ClF2N4O/c1-13-8-16(10-28-21(13)14-4-6-22(24,25)7-5-14)29-20(30)12-27-19-11-26-18-3-2-15(23)9-17(18)19/h2-3,8-11,14,26-27H,4-7,12H2,1H3,(H,29,30)
InChIKeyMULFGTLTLPJMSF-UHFFFAOYSA-N
MW432.90 g/mol
LogP5.87
Rot. Bonds5

About 2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide

2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide (PubChem CID 164554075) has the molecular formula C22H23ClF2N4O and a molecular weight of 432.90 g/mol. Its IUPAC name is 2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide
PubChem CID164554075
Molecular FormulaC22H23ClF2N4O
Molecular Weight432.90 g/mol
Exact Mass432.15
IUPAC Name2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide
SMILESCc1cc(NC(=O)CNc2c[nH]c3ccc(Cl)cc23)cnc1C1CCC(F)(F)CC1
InChIInChI=1S/C22H23ClF2N4O/c1-13-8-16(10-28-21(13)14-4-6-22(24,25)7-5-14)29-20(30)12-27-19-11-26-18-3-2-15(23)9-17(18)19/h2-3,8-11,14,26-27H,4-7,12H2,1H3,(H,29,30)
InChIKeyMULFGTLTLPJMSF-UHFFFAOYSA-N
XLogP5.87
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.90
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide with MolForge

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Related Compounds

1-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)urea
CID 156576792
1-(5-chloro-1H-indol-3-yl)-3-[6-(4,4-difluorocyclohexyl)-3-pyridinyl]urea
CID 156574308
1-[6-(3-bicyclo[3.2.1]octanyl)-5-methyl-3-pyridinyl]-3-(5,6-difluoro-1H-indol-3-yl)urea
CID 156574528
1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-[6-(4,4-difluorocyclohexyl)-3-pyridinyl]urea
CID 156565904
1-(5,6-difluoro-1H-indol-3-yl)-3-[5-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]urea
CID 156574301
1-[5-chloro-6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-3-(5-fluoro-1H-indol-3-yl)urea
CID 156574509
1-(4-chlorophenyl)-N-(6-cyclohexyl-5-methyl-3-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 157416031
2-(5-chloro-2-methylanilino)-N-(3,4-difluorophenyl)acetamide
CID 9102939
1-[6-(4,4-difluoropiperidin-1-yl)-5-ethyl-3-pyridinyl]-3-(5-fluoro-1H-indol-3-yl)urea
CID 156574918
1-(5-chloro-1H-indol-3-yl)-3-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]urea
CID 175407715
2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
2-tert-butyl-4-[3-chloro-5-[(5-chloro-1H-indol-3-yl)carbamoylamino]-2-pyridinyl]-2-methylpiperazine-1-carboxylic acid
CID 170154669

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide?
The IUPAC name of 2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide (CID 164554075) is 2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide?
The canonical SMILES for 2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide is Cc1cc(NC(=O)CNc2c[nH]c3ccc(Cl)cc23)cnc1C1CCC(F)(F)CC1.
What is the InChIKey of 2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide?
The InChIKey is MULFGTLTLPJMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF2N4O/c1-13-8-16(10-28-21(13)14-4-6-22(24,25)7-5-14)29-20(30)12-27-19-11-26-18-3-2-15(23)9-17(18)19/h2-3,8-11,14,26-27H,4-7,12H2,1H3,(H,29,30).
What are the key properties of 2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide?
2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide has a molecular weight of 432.90 g/mol, XLogP of 5.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1H-indol-3-yl)amino]-N-[6-(4,4-difluorocyclohexyl)-5-methyl-3-pyridinyl]acetamide is sourced from PubChem (CID 164554075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).