6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C22H21F3N6O2 — CID 118044904

IUPAC6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCNC3(CC3)C2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C22H21F3N6O2/c23-22(24,25)33-16-3-1-15(2-4-16)29-20(32)14-11-17(18-5-8-28-30-18)19(26-12-14)31-10-9-27-21(13-31)6-7-21/h1-5,8,11-12,27H,6-7,9-10,13H2,(H,28,30)(H,29,32)
InChIKeyGIZTWOXMTDJYBI-UHFFFAOYSA-N
MW458.44 g/mol
LogP3.56
Rot. Bonds5

About 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118044904) has the molecular formula C22H21F3N6O2 and a molecular weight of 458.44 g/mol. Its IUPAC name is 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118044904
Molecular FormulaC22H21F3N6O2
Molecular Weight458.44 g/mol
Exact Mass458.17
IUPAC Name6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCNC3(CC3)C2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C22H21F3N6O2/c23-22(24,25)33-16-3-1-15(2-4-16)29-20(32)14-11-17(18-5-8-28-30-18)19(26-12-14)31-10-9-27-21(13-31)6-7-21/h1-5,8,11-12,27H,6-7,9-10,13H2,(H,28,30)(H,29,32)
InChIKeyGIZTWOXMTDJYBI-UHFFFAOYSA-N
XLogP3.56
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118044904) is 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCNC3(CC3)C2)c(-c2ccn[nH]2)c1.
What is the InChIKey of 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is GIZTWOXMTDJYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2/c23-22(24,25)33-16-3-1-15(2-4-16)29-20(32)14-11-17(18-5-8-28-30-18)19(26-12-14)31-10-9-27-21(13-31)6-7-21/h1-5,8,11-12,27H,6-7,9-10,13H2,(H,28,30)(H,29,32).
What are the key properties of 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118044904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).