6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one

C23H28F3N5O2 — CID 123516361

IUPAC6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one
SMILESCCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1C2CC3(CC21)CN(C)C(=O)CO3
InChIInChI=1S/C23H28F3N5O2/c1-4-12(2)31-18(6-17(29-31)13-5-16(23(24,25)26)21(27)28-9-13)20-14-7-22(8-15(14)20)11-30(3)19(32)10-33-22/h5-6,9,12,14-15,20H,4,7-8,10-11H2,1-3H3,(H2,27,28)
InChIKeyBACJYGQMAJPCPQ-UHFFFAOYSA-N
MW463.50 g/mol
LogP3.87
Rot. Bonds4

About 6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one

6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one (PubChem CID 123516361) has the molecular formula C23H28F3N5O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one.

Molecular Properties

Compound Name6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one
PubChem CID123516361
Molecular FormulaC23H28F3N5O2
Molecular Weight463.50 g/mol
Exact Mass463.22
IUPAC Name6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one
SMILESCCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1C2CC3(CC21)CN(C)C(=O)CO3
InChIInChI=1S/C23H28F3N5O2/c1-4-12(2)31-18(6-17(29-31)13-5-16(23(24,25)26)21(27)28-9-13)20-14-7-22(8-15(14)20)11-30(3)19(32)10-33-22/h5-6,9,12,14-15,20H,4,7-8,10-11H2,1-3H3,(H2,27,28)
InChIKeyBACJYGQMAJPCPQ-UHFFFAOYSA-N
XLogP3.87
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one with MolForge

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Related Compounds

1-[6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]pyrrolidin-2-one
CID 123917935
5-[1-butan-2-yl-5-[3-(2,4-dimethylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123239557
5-[1-butan-2-yl-5-[3-(2-methoxyethyl)-3-azabicyclo[5.1.0]octan-8-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123805629
N-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide
CID 118161780
6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one
CID 123265677
5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123949924
5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 118161773
5-[1-butan-2-yl-5-[2-methyl-4-(3-methylpiperazin-1-yl)cyclopentyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123338892
5-[1-butan-2-yl-5-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 144866081
5-[1-butan-2-yl-5-[3-[methyl(2-methylsulfonylethyl)amino]-1-tricyclo[3.1.0.02,6]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123839785
6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol
CID 123237556
5-[1-butan-2-yl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-cyclopropylpyridin-2-amine
CID 126489560

Frequently Asked Questions

What is the IUPAC name of 6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one?
The IUPAC name of 6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one (CID 123516361) is 6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one.
What is the SMILES notation for 6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one?
The canonical SMILES for 6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one is CCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1C2CC3(CC21)CN(C)C(=O)CO3.
What is the InChIKey of 6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one?
The InChIKey is BACJYGQMAJPCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O2/c1-4-12(2)31-18(6-17(29-31)13-5-16(23(24,25)26)21(27)28-9-13)20-14-7-22(8-15(14)20)11-30(3)19(32)10-33-22/h5-6,9,12,14-15,20H,4,7-8,10-11H2,1-3H3,(H2,27,28).
What are the key properties of 6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one?
6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one has a molecular weight of 463.50 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]-4'-methylspiro[bicyclo[3.1.0]hexane-3,6'-morpholine]-3'-one is sourced from PubChem (CID 123516361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).