[3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

C21H19F6N3O — CID 3235148

IUPAC[3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CN(c1ccccn1)C2
InChIInChI=1S/C21H19F6N3O/c22-20(23,24)15-9-14(10-16(11-15)21(25,26)27)18(31)29-7-4-19(5-8-29)12-30(13-19)17-3-1-2-6-28-17/h1-3,6,9-11H,4-5,7-8,12-13H2
InChIKeyXYIVIMJCMQWMEE-UHFFFAOYSA-N
MW443.39 g/mol
LogP4.86
Rot. Bonds2

About [3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

[3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (PubChem CID 3235148) has the molecular formula C21H19F6N3O and a molecular weight of 443.39 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
PubChem CID3235148
Molecular FormulaC21H19F6N3O
Molecular Weight443.39 g/mol
Exact Mass443.14
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESO=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CN(c1ccccn1)C2
InChIInChI=1S/C21H19F6N3O/c22-20(23,24)15-9-14(10-16(11-15)21(25,26)27)18(31)29-7-4-19(5-8-29)12-30(13-19)17-3-1-2-6-28-17/h1-3,6,9-11H,4-5,7-8,12-13H2
InChIKeyXYIVIMJCMQWMEE-UHFFFAOYSA-N
XLogP4.86
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235071
[3,5-bis(trifluoromethyl)phenyl]-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3233715
furan-2-yl-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3233080
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950861
[3,5-bis(trifluoromethyl)phenyl]-[3-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 87993023
(4-methoxyphenyl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235378
[(5S)-9-pyridin-2-yl-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97483871
[3,5-bis(trifluoromethyl)phenyl]-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone
CID 55656561
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 146078192
7-(benzenesulfonyl)-2-pyridin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3235527
9-[3,5-bis(trifluoromethyl)benzoyl]-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3233337

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (CID 3235148) is [3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CN(c1ccccn1)C2.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is XYIVIMJCMQWMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F6N3O/c22-20(23,24)15-9-14(10-16(11-15)21(25,26)27)18(31)29-7-4-19(5-8-29)12-30(13-19)17-3-1-2-6-28-17/h1-3,6,9-11H,4-5,7-8,12-13H2.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
[3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 443.39 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 3235148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).