N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide

C23H19F3N6O2 — CID 121280409

IUPACN-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(NC(=O)Cn3cc(-c4ccnc(C(F)(F)F)c4)c(C)n3)nc2)cn1
InChIInChI=1S/C23H19F3N6O2/c1-14-18(15-7-8-27-19(9-15)23(24,25)26)12-32(31-14)13-21(33)30-20-5-3-16(10-28-20)17-4-6-22(34-2)29-11-17/h3-12H,13H2,1-2H3,(H,28,30,33)
InChIKeyWFJKNYQBCRMHFM-UHFFFAOYSA-N
MW468.44 g/mol
LogP4.38
Rot. Bonds6

About N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide

N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide (PubChem CID 121280409) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide
PubChem CID121280409
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC NameN-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(NC(=O)Cn3cc(-c4ccnc(C(F)(F)F)c4)c(C)n3)nc2)cn1
InChIInChI=1S/C23H19F3N6O2/c1-14-18(15-7-8-27-19(9-15)23(24,25)26)12-32(31-14)13-21(33)30-20-5-3-16(10-28-20)17-4-6-22(34-2)29-11-17/h3-12H,13H2,1-2H3,(H,28,30,33)
InChIKeyWFJKNYQBCRMHFM-UHFFFAOYSA-N
XLogP4.38
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide (CID 121280409) is N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide is COc1ccc(-c2ccc(NC(=O)Cn3cc(-c4ccnc(C(F)(F)F)c4)c(C)n3)nc2)cn1.
What is the InChIKey of N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide?
The InChIKey is WFJKNYQBCRMHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-14-18(15-7-8-27-19(9-15)23(24,25)26)12-32(31-14)13-21(33)30-20-5-3-16(10-28-20)17-4-6-22(34-2)29-11-17/h3-12H,13H2,1-2H3,(H,28,30,33).
What are the key properties of N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide?
N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide has a molecular weight of 468.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-2-[3-methyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 121280409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).