5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

C23H30F3N5O2 — CID 144866307

IUPAC5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1[C@H]1CC2CCC1C2N1CCOCC1
InChIInChI=1S/C23H30F3N5O2/c1-13(2)31-19(17-9-14-3-4-16(17)21(14)30-5-7-32-8-6-30)11-18(29-31)15-10-20(22(27)28-12-15)33-23(24,25)26/h10-14,16-17,21H,3-9H2,1-2H3,(H2,27,28)/t14?,16?,17-,21?/m0/s1
InChIKeyKFRWQGCQIOHHKI-SCJKPDMKSA-N
MW465.52 g/mol
LogP4.22
Rot. Bonds5

About 5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 144866307) has the molecular formula C23H30F3N5O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID144866307
Molecular FormulaC23H30F3N5O2
Molecular Weight465.52 g/mol
Exact Mass465.24
IUPAC Name5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1[C@H]1CC2CCC1C2N1CCOCC1
InChIInChI=1S/C23H30F3N5O2/c1-13(2)31-19(17-9-14-3-4-16(17)21(14)30-5-7-32-8-6-30)11-18(29-31)15-10-20(22(27)28-12-15)33-23(24,25)26/h10-14,16-17,21H,3-9H2,1-2H3,(H2,27,28)/t14?,16?,17-,21?/m0/s1
InChIKeyKFRWQGCQIOHHKI-SCJKPDMKSA-N
XLogP4.22
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine with MolForge

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Related Compounds

5-[5-[(1S,5R)-3-(3-methoxypyrrolidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 118161591
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
5-[5-[3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexa-1,4-dienyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 153185874
5-[5-[(1S,5R)-3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1S,5R)-3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 157104559
5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 118161731
5-[5-[(5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 126489447
5-[1-(cyclopropylmethyl)-5-(3-morpholin-4-ylcyclopentyl)pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 162616449
5-[1-butan-2-yl-5-[3-(2-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 123179537
3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(6-fluoro-1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 118161740
5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 123411094
5-[5-[3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123161553
3-[(1'R,5'S)-6'-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]spiro[azetidine-3,3'-bicyclo[3.1.0]hexane]-1-yl]propan-1-ol;5-[5-[(1R,2R,5S,6R)-2-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 159918597

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 144866307) is 5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1[C@H]1CC2CCC1C2N1CCOCC1.
What is the InChIKey of 5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is KFRWQGCQIOHHKI-SCJKPDMKSA-N. The full InChI is InChI=1S/C23H30F3N5O2/c1-13(2)31-19(17-9-14-3-4-16(17)21(14)30-5-7-32-8-6-30)11-18(29-31)15-10-20(22(27)28-12-15)33-23(24,25)26/h10-14,16-17,21H,3-9H2,1-2H3,(H2,27,28)/t14?,16?,17-,21?/m0/s1.
What are the key properties of 5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 465.52 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2S)-7-morpholin-4-yl-2-bicyclo[2.2.1]heptanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 144866307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).