acetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide

C25H27F2N5O3 — CID 159791566

IUPACacetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide
SMILESCC(N)=O.Cn1ncc2cc(Cn3cc(C(=O)NC4CCOCC4)c4c(F)ccc(F)c43)ccc21
InChIInChI=1S/C23H22F2N4O2.C2H5NO/c1-28-20-5-2-14(10-15(20)11-26-28)12-29-13-17(21-18(24)3-4-19(25)22(21)29)23(30)27-16-6-8-31-9-7-16;1-2(3)4/h2-5,10-11,13,16H,6-9,12H2,1H3,(H,27,30);1H3,(H2,3,4)
InChIKeyNIPXBRBVLGFBGQ-UHFFFAOYSA-N
MW483.52 g/mol
LogP3.25
Rot. Bonds4

About acetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide

acetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide (PubChem CID 159791566) has the molecular formula C25H27F2N5O3 and a molecular weight of 483.52 g/mol. Its IUPAC name is acetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide.

Molecular Properties

Compound Nameacetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide
PubChem CID159791566
Molecular FormulaC25H27F2N5O3
Molecular Weight483.52 g/mol
Exact Mass483.21
IUPAC Nameacetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide
SMILESCC(N)=O.Cn1ncc2cc(Cn3cc(C(=O)NC4CCOCC4)c4c(F)ccc(F)c43)ccc21
InChIInChI=1S/C23H22F2N4O2.C2H5NO/c1-28-20-5-2-14(10-15(20)11-26-28)12-29-13-17(21-18(24)3-4-19(25)22(21)29)23(30)27-16-6-8-31-9-7-16;1-2(3)4/h2-5,10-11,13,16H,6-9,12H2,1H3,(H,27,30);1H3,(H2,3,4)
InChIKeyNIPXBRBVLGFBGQ-UHFFFAOYSA-N
XLogP3.25
TPSA104.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-carbamoylphenyl)methyl]-4-fluoro-N-(oxan-4-yl)indole-3-carboxamide
CID 123766771
4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide
CID 122413548
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-7-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482851
4-fluoro-N-(oxan-4-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]indole-3-carboxamide
CID 144813109
N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 123838231
4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide
CID 158014533
N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide
CID 144813115
N-[1-[7-ethyl-4-fluoro-1-[[4-[(Z)-1-methyliminobut-2-en-2-yl]phenyl]methyl]indol-3-yl]ethenyl]oxan-4-amine
CID 144813118
4-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R)-oxan-3-yl]indole-3-carboxamide
CID 144813189
2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide
CID 70845853
N-[(3R)-1-cyanopyrrolidin-3-yl]-2-fluoro-4-(1-methylindazol-5-yl)benzamide
CID 122590619
N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
CID 121482780

Frequently Asked Questions

What is the IUPAC name of acetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide?
The IUPAC name of acetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide (CID 159791566) is acetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide.
What is the SMILES notation for acetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide?
The canonical SMILES for acetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide is CC(N)=O.Cn1ncc2cc(Cn3cc(C(=O)NC4CCOCC4)c4c(F)ccc(F)c43)ccc21.
What is the InChIKey of acetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide?
The InChIKey is NIPXBRBVLGFBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2.C2H5NO/c1-28-20-5-2-14(10-15(20)11-26-28)12-29-13-17(21-18(24)3-4-19(25)22(21)29)23(30)27-16-6-8-31-9-7-16;1-2(3)4/h2-5,10-11,13,16H,6-9,12H2,1H3,(H,27,30);1H3,(H2,3,4).
What are the key properties of acetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide?
acetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;4,7-difluoro-1-[(1-methylindazol-5-yl)methyl]-N-(oxan-4-yl)indole-3-carboxamide is sourced from PubChem (CID 159791566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).