5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

C25H33F3N6O2 — CID 118161604

IUPAC5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CC4(CN(C)CCO4)C3)C[C@@H]12
InChIInChI=1S/C25H33F3N6O2/c1-14(2)34-20(9-19(31-34)15-6-21(23(29)30-10-15)36-25(26,27)28)22-17-7-16(8-18(17)22)33-12-24(13-33)11-32(3)4-5-35-24/h6,9-10,14,16-18,22H,4-5,7-8,11-13H2,1-3H3,(H2,29,30)/t16?,17-,18+,22?
InChIKeyXMMOKPQZLFTNCO-CXOKAFIMSA-N
MW506.57 g/mol
LogP3.52
Rot. Bonds5

About 5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 118161604) has the molecular formula C25H33F3N6O2 and a molecular weight of 506.57 g/mol. Its IUPAC name is 5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID118161604
Molecular FormulaC25H33F3N6O2
Molecular Weight506.57 g/mol
Exact Mass506.26
IUPAC Name5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CC4(CN(C)CCO4)C3)C[C@@H]12
InChIInChI=1S/C25H33F3N6O2/c1-14(2)34-20(9-19(31-34)15-6-21(23(29)30-10-15)36-25(26,27)28)22-17-7-16(8-18(17)22)33-12-24(13-33)11-32(3)4-5-35-24/h6,9-10,14,16-18,22H,4-5,7-8,11-13H2,1-3H3,(H2,29,30)/t16?,17-,18+,22?
InChIKeyXMMOKPQZLFTNCO-CXOKAFIMSA-N
XLogP3.52
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 118161604) is 5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CC4(CN(C)CCO4)C3)C[C@@H]12.
What is the InChIKey of 5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is XMMOKPQZLFTNCO-CXOKAFIMSA-N. The full InChI is InChI=1S/C25H33F3N6O2/c1-14(2)34-20(9-19(31-34)15-6-21(23(29)30-10-15)36-25(26,27)28)22-17-7-16(8-18(17)22)33-12-24(13-33)11-32(3)4-5-35-24/h6,9-10,14,16-18,22H,4-5,7-8,11-13H2,1-3H3,(H2,29,30)/t16?,17-,18+,22?.
What are the key properties of 5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 506.57 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R,5S)-3-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 118161604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).