N-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide

C39H32FN3O2 — CID 145248044

IUPACN-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(C4=CC[C@@H](C)c5ccc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc54)cc23)c1
InChIInChI=1S/C39H32FN3O2/c1-24-11-13-34(38-21-36-33(9-6-10-37(36)43-38)27-16-29(40)20-31(18-27)45-2)35-19-26(12-14-32(24)35)28-17-30(23-41-22-28)42-39(44)15-25-7-4-3-5-8-25/h3-10,12-14,16-24,43H,11,15H2,1-2H3,(H,42,44)/t24-/m1/s1
InChIKeyVNEJYVPMFOMXBY-XMMPIXPASA-N
MW593.70 g/mol
LogP9.16
Rot. Bonds7

About N-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide

N-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 145248044) has the molecular formula C39H32FN3O2 and a molecular weight of 593.70 g/mol. Its IUPAC name is N-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide
PubChem CID145248044
Molecular FormulaC39H32FN3O2
Molecular Weight593.70 g/mol
Exact Mass593.25
IUPAC NameN-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(C4=CC[C@@H](C)c5ccc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc54)cc23)c1
InChIInChI=1S/C39H32FN3O2/c1-24-11-13-34(38-21-36-33(9-6-10-37(36)43-38)27-16-29(40)20-31(18-27)45-2)35-19-26(12-14-32(24)35)28-17-30(23-41-22-28)42-39(44)15-25-7-4-3-5-8-25/h3-10,12-14,16-24,43H,11,15H2,1-2H3,(H,42,44)/t24-/m1/s1
InChIKeyVNEJYVPMFOMXBY-XMMPIXPASA-N
XLogP9.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.70
LogP ≤ 59.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 2992425
N-[(4-fluorophenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2-diphenylacetamide
CID 45488947
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-8-(1,2,3,4-tetrahydroacridin-9-ylamino)octanamide
CID 155547149
N-[2-(dimethylamino)ethyl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide
CID 9999601
N-[(2R)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-methoxy-2-(pentanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 44277300
N-[(2R)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-(3-methoxyphenyl)-1-(pentanoylamino)cyclohexane-1-carboxamide
CID 44404526
N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-2-carboxamide
CID 52935061
N-[(3-methoxyphenyl)methyl]-6-pyridin-4-yl-1H-indole-3-carboxamide
CID 52935716
2-fluoro-4-(3-fluoro-4-methoxyphenyl)-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72705079
N-[7-(5-methoxy-1H-indol-3-yl)isoquinolin-6-yl]acetamide
CID 77106030
9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide
CID 121363748
4-(3-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 122191224

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide (CID 145248044) is N-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide is COc1cc(F)cc(-c2cccc3[nH]c(C4=CC[C@@H](C)c5ccc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc54)cc23)c1.
What is the InChIKey of N-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide?
The InChIKey is VNEJYVPMFOMXBY-XMMPIXPASA-N. The full InChI is InChI=1S/C39H32FN3O2/c1-24-11-13-34(38-21-36-33(9-6-10-37(36)43-38)27-16-29(40)20-31(18-27)45-2)35-19-26(12-14-32(24)35)28-17-30(23-41-22-28)42-39(44)15-25-7-4-3-5-8-25/h3-10,12-14,16-24,43H,11,15H2,1-2H3,(H,42,44)/t24-/m1/s1.
What are the key properties of N-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide?
N-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 593.70 g/mol, XLogP of 9.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5R)-8-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-methyl-5,6-dihydronaphthalen-2-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 145248044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).