2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide

C21H18ClF2N5O2 — CID 141258119

IUPAC2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(-c3cc(-c4cnc(OC(CF)CF)c(Cl)c4)n[nH]3)cccc21
InChIInChI=1S/C21H18ClF2N5O2/c22-16-6-12(10-26-21(16)31-13(8-23)9-24)17-7-18(28-27-17)14-2-1-3-19-15(14)4-5-29(19)11-20(25)30/h1-7,10,13H,8-9,11H2,(H2,25,30)(H,27,28)
InChIKeyFEVHODZDRLCEIU-UHFFFAOYSA-N
MW445.86 g/mol
LogP3.92
Rot. Bonds8

About 2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide

2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide (PubChem CID 141258119) has the molecular formula C21H18ClF2N5O2 and a molecular weight of 445.86 g/mol. Its IUPAC name is 2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide
PubChem CID141258119
Molecular FormulaC21H18ClF2N5O2
Molecular Weight445.86 g/mol
Exact Mass445.11
IUPAC Name2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(-c3cc(-c4cnc(OC(CF)CF)c(Cl)c4)n[nH]3)cccc21
InChIInChI=1S/C21H18ClF2N5O2/c22-16-6-12(10-26-21(16)31-13(8-23)9-24)17-7-18(28-27-17)14-2-1-3-19-15(14)4-5-29(19)11-20(25)30/h1-7,10,13H,8-9,11H2,(H2,25,30)(H,27,28)
InChIKeyFEVHODZDRLCEIU-UHFFFAOYSA-N
XLogP3.92
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.86
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide?
The IUPAC name of 2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide (CID 141258119) is 2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide?
The canonical SMILES for 2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide is NC(=O)Cn1ccc2c(-c3cc(-c4cnc(OC(CF)CF)c(Cl)c4)n[nH]3)cccc21.
What is the InChIKey of 2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide?
The InChIKey is FEVHODZDRLCEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N5O2/c22-16-6-12(10-26-21(16)31-13(8-23)9-24)17-7-18(28-27-17)14-2-1-3-19-15(14)4-5-29(19)11-20(25)30/h1-7,10,13H,8-9,11H2,(H2,25,30)(H,27,28).
What are the key properties of 2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide?
2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide has a molecular weight of 445.86 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[5-chloro-6-(1,3-difluoropropan-2-yloxy)-3-pyridinyl]-1H-pyrazol-5-yl]indol-1-yl]acetamide is sourced from PubChem (CID 141258119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).