N-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C25H26F3N5O2 — CID 24889194

IUPACN-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)cnc1OCCN1C2CCC1CC2
InChIInChI=1S/C25H26F3N5O2/c1-32-22(9-10-30-32)21-14-18(31-23(34)16-3-2-4-17(13-16)25(26,27)28)15-29-24(21)35-12-11-33-19-5-6-20(33)8-7-19/h2-4,9-10,13-15,19-20H,5-8,11-12H2,1H3,(H,31,34)
InChIKeyPWDHXDYHZODQTJ-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.76
Rot. Bonds7

About N-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 24889194) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID24889194
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC NameN-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)cnc1OCCN1C2CCC1CC2
InChIInChI=1S/C25H26F3N5O2/c1-32-22(9-10-30-32)21-14-18(31-23(34)16-3-2-4-17(13-16)25(26,27)28)15-29-24(21)35-12-11-33-19-5-6-20(33)8-7-19/h2-4,9-10,13-15,19-20H,5-8,11-12H2,1H3,(H,31,34)
InChIKeyPWDHXDYHZODQTJ-UHFFFAOYSA-N
XLogP4.76
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 24889194) is N-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cn1nccc1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)cnc1OCCN1C2CCC1CC2.
What is the InChIKey of N-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PWDHXDYHZODQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-32-22(9-10-30-32)21-14-18(31-23(34)16-3-2-4-17(13-16)25(26,27)28)15-29-24(21)35-12-11-33-19-5-6-20(33)8-7-19/h2-4,9-10,13-15,19-20H,5-8,11-12H2,1H3,(H,31,34).
What are the key properties of N-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 485.51 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 24889194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).