3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide

C23H20FN3O3 — CID 155620399

IUPAC3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CC4(CC4)c4ccccc43)nc2)cc(F)c1O
InChIInChI=1S/C23H20FN3O3/c1-30-19-11-14(10-17(24)21(19)28)22(29)26-15-6-7-20(25-12-15)27-13-23(8-9-23)16-4-2-3-5-18(16)27/h2-7,10-12,28H,8-9,13H2,1H3,(H,26,29)
InChIKeyNHMPYKSAALSSMB-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.37
Rot. Bonds4

About 3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide

3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide (PubChem CID 155620399) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide
PubChem CID155620399
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CC4(CC4)c4ccccc43)nc2)cc(F)c1O
InChIInChI=1S/C23H20FN3O3/c1-30-19-11-14(10-17(24)21(19)28)22(29)26-15-6-7-20(25-12-15)27-13-23(8-9-23)16-4-2-3-5-18(16)27/h2-7,10-12,28H,8-9,13H2,1H3,(H,26,29)
InChIKeyNHMPYKSAALSSMB-UHFFFAOYSA-N
XLogP4.37
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide
CID 155620473
N-[6-(3,3-dimethyl-2H-indol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-fluoro-5-formyl-4-hydroxybenzamide
CID 155143344
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
CID 1449581
N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide
CID 155620427
3-fluoro-4-hydroxy-5-methoxy-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 170688004
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
6-methoxy-N-[6-(2-oxo-3-phenylimidazolidin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 53187509
3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014415
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 53187724
3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide
CID 16606497
5-methoxy-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 25468464
3-methoxy-N-[6-(2-oxo-3-phenylimidazolidin-1-yl)-3-pyridinyl]benzamide
CID 53187472

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide (CID 155620399) is 3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide is COc1cc(C(=O)Nc2ccc(N3CC4(CC4)c4ccccc43)nc2)cc(F)c1O.
What is the InChIKey of 3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide?
The InChIKey is NHMPYKSAALSSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-30-19-11-14(10-17(24)21(19)28)22(29)26-15-6-7-20(25-12-15)27-13-23(8-9-23)16-4-2-3-5-18(16)27/h2-7,10-12,28H,8-9,13H2,1H3,(H,26,29).
What are the key properties of 3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide?
3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide has a molecular weight of 405.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-5-methoxy-N-(6-spiro[2H-indole-3,1'-cyclopropane]-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 155620399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).