N-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide

C33H38FN7O3 — CID 177170382

IUPACN-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide
SMILESCOc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(CN3CCC(NC(C)=O)CC3)cc12
InChIInChI=1S/C33H38FN7O3/c1-22(42)36-24-9-14-39(15-10-24)21-25-18-29-28(26-7-3-4-8-30(26)44-2)19-27(32(34)33(29)37-25)23-6-5-13-40(20-23)31(43)11-16-41-17-12-35-38-41/h3-4,6-8,12,17-19,24,37H,5,9-11,13-16,20-21H2,1-2H3,(H,36,42)
InChIKeyVYESSUVIEVDNGJ-UHFFFAOYSA-N
MW599.71 g/mol
LogP4.38
Rot. Bonds9

About N-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 177170382) has the molecular formula C33H38FN7O3 and a molecular weight of 599.71 g/mol. Its IUPAC name is N-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide
PubChem CID177170382
Molecular FormulaC33H38FN7O3
Molecular Weight599.71 g/mol
Exact Mass599.30
IUPAC NameN-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide
SMILESCOc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(CN3CCC(NC(C)=O)CC3)cc12
InChIInChI=1S/C33H38FN7O3/c1-22(42)36-24-9-14-39(15-10-24)21-25-18-29-28(26-7-3-4-8-30(26)44-2)19-27(32(34)33(29)37-25)23-6-5-13-40(20-23)31(43)11-16-41-17-12-35-38-41/h3-4,6-8,12,17-19,24,37H,5,9-11,13-16,20-21H2,1-2H3,(H,36,42)
InChIKeyVYESSUVIEVDNGJ-UHFFFAOYSA-N
XLogP4.38
TPSA108.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.71
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide (CID 177170382) is N-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide is COc1ccccc1-c1cc(C2=CCCN(C(=O)CCn3ccnn3)C2)c(F)c2[nH]c(CN3CCC(NC(C)=O)CC3)cc12.
What is the InChIKey of N-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is VYESSUVIEVDNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38FN7O3/c1-22(42)36-24-9-14-39(15-10-24)21-25-18-29-28(26-7-3-4-8-30(26)44-2)19-27(32(34)33(29)37-25)23-6-5-13-40(20-23)31(43)11-16-41-17-12-35-38-41/h3-4,6-8,12,17-19,24,37H,5,9-11,13-16,20-21H2,1-2H3,(H,36,42).
What are the key properties of N-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 599.71 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[7-fluoro-4-(2-methoxyphenyl)-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-2-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 177170382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).