N-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide

C26H19F2N5O — CID 156744878

IUPACN-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2ccnc3ccccc23)c(-c2ccccn2)n1)NCc1c(F)cccc1F
InChIInChI=1S/C26H19F2N5O/c27-21-7-5-8-22(28)19(21)14-31-25(34)16-33-15-20(26(32-33)24-10-3-4-12-29-24)17-11-13-30-23-9-2-1-6-18(17)23/h1-13,15H,14,16H2,(H,31,34)
InChIKeyKUJDSIYFSMPKAW-UHFFFAOYSA-N
MW455.47 g/mol
LogP4.75
Rot. Bonds6

About N-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide

N-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide (PubChem CID 156744878) has the molecular formula C26H19F2N5O and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide
PubChem CID156744878
Molecular FormulaC26H19F2N5O
Molecular Weight455.47 g/mol
Exact Mass455.16
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2ccnc3ccccc23)c(-c2ccccn2)n1)NCc1c(F)cccc1F
InChIInChI=1S/C26H19F2N5O/c27-21-7-5-8-22(28)19(21)14-31-25(34)16-33-15-20(26(32-33)24-10-3-4-12-29-24)17-11-13-30-23-9-2-1-6-18(17)23/h1-13,15H,14,16H2,(H,31,34)
InChIKeyKUJDSIYFSMPKAW-UHFFFAOYSA-N
XLogP4.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide (CID 156744878) is N-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide is O=C(Cn1cc(-c2ccnc3ccccc23)c(-c2ccccn2)n1)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide?
The InChIKey is KUJDSIYFSMPKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O/c27-21-7-5-8-22(28)19(21)14-31-25(34)16-33-15-20(26(32-33)24-10-3-4-12-29-24)17-11-13-30-23-9-2-1-6-18(17)23/h1-13,15H,14,16H2,(H,31,34).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide?
N-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide has a molecular weight of 455.47 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 156744878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).