5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one

C24H26F4N4O2 — CID 137407686

IUPAC5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2CC2)C1
InChIInChI=1S/C24H26F4N4O2/c1-30(2)23(17-4-3-5-18(25)10-17)13-22(14-23)15-31(21(33)32(22)12-16-6-7-16)20-9-8-19(11-29-20)34-24(26,27)28/h3-5,8-11,16H,6-7,12-15H2,1-2H3
InChIKeyUVMUVRYPTVEJRQ-UHFFFAOYSA-N
MW478.49 g/mol
LogP4.76
Rot. Bonds6

About 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one

5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 137407686) has the molecular formula C24H26F4N4O2 and a molecular weight of 478.49 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
PubChem CID137407686
Molecular FormulaC24H26F4N4O2
Molecular Weight478.49 g/mol
Exact Mass478.20
IUPAC Name5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2cccc(F)c2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2CC2)C1
InChIInChI=1S/C24H26F4N4O2/c1-30(2)23(17-4-3-5-18(25)10-17)13-22(14-23)15-31(21(33)32(22)12-16-6-7-16)20-9-8-19(11-29-20)34-24(26,27)28/h3-5,8-11,16H,6-7,12-15H2,1-2H3
InChIKeyUVMUVRYPTVEJRQ-UHFFFAOYSA-N
XLogP4.76
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one (CID 137407686) is 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one is CN(C)C1(c2cccc(F)c2)CC2(CN(c3ccc(OC(F)(F)F)cn3)C(=O)N2CC2CC2)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is UVMUVRYPTVEJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N4O2/c1-30(2)23(17-4-3-5-18(25)10-17)13-22(14-23)15-31(21(33)32(22)12-16-6-7-16)20-9-8-19(11-29-20)34-24(26,27)28/h3-5,8-11,16H,6-7,12-15H2,1-2H3.
What are the key properties of 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one?
5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 478.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-(dimethylamino)-2-(3-fluorophenyl)-7-[5-(trifluoromethoxy)-2-pyridinyl]-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137407686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).