N-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide

C24H20ClFN6O2 — CID 146200471

IUPACN-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc(C3(O)CCc4cc(-c5cc(Cl)ccc5N)cnc43)[nH]2)c(F)n1
InChIInChI=1S/C24H20ClFN6O2/c1-12(33)30-20-5-3-16(22(26)32-20)19-11-29-23(31-19)24(34)7-6-13-8-14(10-28-21(13)24)17-9-15(25)2-4-18(17)27/h2-5,8-11,34H,6-7,27H2,1H3,(H,29,31)(H,30,32,33)
InChIKeyFXMQQZZKFIOGBS-UHFFFAOYSA-N
MW478.92 g/mol
LogP4.05
Rot. Bonds4

About N-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide

N-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide (PubChem CID 146200471) has the molecular formula C24H20ClFN6O2 and a molecular weight of 478.92 g/mol. Its IUPAC name is N-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide
PubChem CID146200471
Molecular FormulaC24H20ClFN6O2
Molecular Weight478.92 g/mol
Exact Mass478.13
IUPAC NameN-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cnc(C3(O)CCc4cc(-c5cc(Cl)ccc5N)cnc43)[nH]2)c(F)n1
InChIInChI=1S/C24H20ClFN6O2/c1-12(33)30-20-5-3-16(22(26)32-20)19-11-29-23(31-19)24(34)7-6-13-8-14(10-28-21(13)24)17-9-15(25)2-4-18(17)27/h2-5,8-11,34H,6-7,27H2,1H3,(H,29,31)(H,30,32,33)
InChIKeyFXMQQZZKFIOGBS-UHFFFAOYSA-N
XLogP4.05
TPSA129.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.92
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide with MolForge

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Related Compounds

US10081617, Example 118
CID 122632613
US10081617, Example 106
CID 136215517
US10081617, Example 72
CID 122623871
US10081617, Example 83
CID 122623874
US10081617, Example 60
CID 122623920
US10081617, Example 25
CID 122623922
US10081617, Example 77
CID 122623953
US10081617, Example 26
CID 122623962
US10081617, Example 67
CID 122632627
US10081617, Example 71
CID 122632718
US10081617, Example 111
CID 134358290
US10081617, Example 23
CID 136215504

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide (CID 146200471) is N-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2cnc(C3(O)CCc4cc(-c5cc(Cl)ccc5N)cnc43)[nH]2)c(F)n1.
What is the InChIKey of N-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide?
The InChIKey is FXMQQZZKFIOGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O2/c1-12(33)30-20-5-3-16(22(26)32-20)19-11-29-23(31-19)24(34)7-6-13-8-14(10-28-21(13)24)17-9-15(25)2-4-18(17)27/h2-5,8-11,34H,6-7,27H2,1H3,(H,29,31)(H,30,32,33).
What are the key properties of N-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide?
N-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide has a molecular weight of 478.92 g/mol, XLogP of 4.05, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[3-(2-amino-5-chlorophenyl)-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-7-yl]-1H-imidazol-5-yl]-6-fluoro-2-pyridinyl]acetamide is sourced from PubChem (CID 146200471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).