N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide

C21H24F3N5O2 — CID 167500058

IUPACN-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide
SMILESCC(=O)NC1CC2(C1)CC(n1cc(-c3cnc(N)c(OC(F)(F)F)c3)nc1C1CC1)C2
InChIInChI=1S/C21H24F3N5O2/c1-11(30)27-14-5-20(6-14)7-15(8-20)29-10-16(28-19(29)12-2-3-12)13-4-17(18(25)26-9-13)31-21(22,23)24/h4,9-10,12,14-15H,2-3,5-8H2,1H3,(H2,25,26)(H,27,30)
InChIKeyVFYIWKVFYOVDFE-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.92
Rot. Bonds5

About N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide

N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide (PubChem CID 167500058) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide
PubChem CID167500058
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC NameN-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide
SMILESCC(=O)NC1CC2(C1)CC(n1cc(-c3cnc(N)c(OC(F)(F)F)c3)nc1C1CC1)C2
InChIInChI=1S/C21H24F3N5O2/c1-11(30)27-14-5-20(6-14)7-15(8-20)29-10-16(28-19(29)12-2-3-12)13-4-17(18(25)26-9-13)31-21(22,23)24/h4,9-10,12,14-15H,2-3,5-8H2,1H3,(H2,25,26)(H,27,30)
InChIKeyVFYIWKVFYOVDFE-UHFFFAOYSA-N
XLogP3.92
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide?
The IUPAC name of N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide (CID 167500058) is N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide.
What is the SMILES notation for N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide?
The canonical SMILES for N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide is CC(=O)NC1CC2(C1)CC(n1cc(-c3cnc(N)c(OC(F)(F)F)c3)nc1C1CC1)C2.
What is the InChIKey of N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide?
The InChIKey is VFYIWKVFYOVDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-11(30)27-14-5-20(6-14)7-15(8-20)29-10-16(28-19(29)12-2-3-12)13-4-17(18(25)26-9-13)31-21(22,23)24/h4,9-10,12,14-15H,2-3,5-8H2,1H3,(H2,25,26)(H,27,30).
What are the key properties of N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide?
N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide has a molecular weight of 435.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]spiro[3.3]heptan-6-yl]acetamide is sourced from PubChem (CID 167500058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).