2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide

C24H29F3N8O3 — CID 164859125

IUPAC2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
SMILESCc1nn(C)c(C(C)NC(=O)N2CCC3(C2)OCCn2nc(-c4cnc(N)c(OC(F)(F)F)c4)cc23)c1C
InChIInChI=1S/C24H29F3N8O3/c1-13-14(2)31-33(4)20(13)15(3)30-22(36)34-6-5-23(12-34)19-10-17(32-35(19)7-8-37-23)16-9-18(21(28)29-11-16)38-24(25,26)27/h9-11,15H,5-8,12H2,1-4H3,(H2,28,29)(H,30,36)
InChIKeyHKPMNKJYPWRJNX-UHFFFAOYSA-N
MW534.54 g/mol
LogP3.18
Rot. Bonds4

About 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide

2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 164859125) has the molecular formula C24H29F3N8O3 and a molecular weight of 534.54 g/mol. Its IUPAC name is 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
PubChem CID164859125
Molecular FormulaC24H29F3N8O3
Molecular Weight534.54 g/mol
Exact Mass534.23
IUPAC Name2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
SMILESCc1nn(C)c(C(C)NC(=O)N2CCC3(C2)OCCn2nc(-c4cnc(N)c(OC(F)(F)F)c4)cc23)c1C
InChIInChI=1S/C24H29F3N8O3/c1-13-14(2)31-33(4)20(13)15(3)30-22(36)34-6-5-23(12-34)19-10-17(32-35(19)7-8-37-23)16-9-18(21(28)29-11-16)38-24(25,26)27/h9-11,15H,5-8,12H2,1-4H3,(H2,28,29)(H,30,36)
InChIKeyHKPMNKJYPWRJNX-UHFFFAOYSA-N
XLogP3.18
TPSA125.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.54
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxylic acid
CID 170429506
2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[(1R)-1-phenylpropyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 164858862
2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(4-cyano-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 170429365
2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 164859417
(4R)-2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2-fluorophenyl)cyclobutyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 175780029
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(1-pyridin-3-ylethyl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 170429458
2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-(1-pyridin-2-ylethyl)spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 170429531
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-[(1R)-1-(4-cyanophenyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 164859853
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-[(1R)-1-(2-cyanophenyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 164858977
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-4-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 164858884
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 164859348
2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859757

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide (CID 164859125) is 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide is Cc1nn(C)c(C(C)NC(=O)N2CCC3(C2)OCCn2nc(-c4cnc(N)c(OC(F)(F)F)c4)cc23)c1C.
What is the InChIKey of 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is HKPMNKJYPWRJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N8O3/c1-13-14(2)31-33(4)20(13)15(3)30-22(36)34-6-5-23(12-34)19-10-17(32-35(19)7-8-37-23)16-9-18(21(28)29-11-16)38-24(25,26)27/h9-11,15H,5-8,12H2,1-4H3,(H2,28,29)(H,30,36).
What are the key properties of 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?
2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 534.54 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(2,4,5-trimethylpyrazol-3-yl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 164859125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).