ethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine

C24H38F3N5S — CID 144866314

IUPACethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine
SMILESC1CSCCN1.CC.CC1CCC[C@H]1c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1C(C)C
InChIInChI=1S/C18H23F3N4.C4H9NS.C2H6/c1-10(2)25-16(13-6-4-5-11(13)3)8-15(24-25)12-7-14(18(19,20)21)17(22)23-9-12;1-3-6-4-2-5-1;1-2/h7-11,13H,4-6H2,1-3H3,(H2,22,23);5H,1-4H2;1-2H3/t11?,13-;;/m1../s1
InChIKeyLTDXGCUBJJVDCV-RNVQNLIPSA-N
MW485.66 g/mol
LogP6.38
Rot. Bonds3

About ethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine

ethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine (PubChem CID 144866314) has the molecular formula C24H38F3N5S and a molecular weight of 485.66 g/mol. Its IUPAC name is ethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine.

Molecular Properties

Compound Nameethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine
PubChem CID144866314
Molecular FormulaC24H38F3N5S
Molecular Weight485.66 g/mol
Exact Mass485.28
IUPAC Nameethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine
SMILESC1CSCCN1.CC.CC1CCC[C@H]1c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1C(C)C
InChIInChI=1S/C18H23F3N4.C4H9NS.C2H6/c1-10(2)25-16(13-6-4-5-11(13)3)8-15(24-25)12-7-14(18(19,20)21)17(22)23-9-12;1-3-6-4-2-5-1;1-2/h7-11,13H,4-6H2,1-3H3,(H2,22,23);5H,1-4H2;1-2H3/t11?,13-;;/m1../s1
InChIKeyLTDXGCUBJJVDCV-RNVQNLIPSA-N
XLogP6.38
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.66
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
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-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 154971519
5-[5-[(3S,5S,6S)-3-[(2S)-2,4-dimethylpiperazin-1-yl]-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 144866262
5-[5-[(1S,5R)-3-[(2S)-2-methoxymorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 118185495
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
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
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-[5-[(1R,5S)-3-(1,4-diazepan-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 154971498
3-(difluoromethoxy)-5-[5-[(2S,4R)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 118189358

Frequently Asked Questions

What is the IUPAC name of ethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine?
The IUPAC name of ethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine (CID 144866314) is ethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine.
What is the SMILES notation for ethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine?
The canonical SMILES for ethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine is C1CSCCN1.CC.CC1CCC[C@H]1c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1C(C)C.
What is the InChIKey of ethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine?
The InChIKey is LTDXGCUBJJVDCV-RNVQNLIPSA-N. The full InChI is InChI=1S/C18H23F3N4.C4H9NS.C2H6/c1-10(2)25-16(13-6-4-5-11(13)3)8-15(24-25)12-7-14(18(19,20)21)17(22)23-9-12;1-3-6-4-2-5-1;1-2/h7-11,13H,4-6H2,1-3H3,(H2,22,23);5H,1-4H2;1-2H3/t11?,13-;;/m1../s1.
What are the key properties of ethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine?
ethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine has a molecular weight of 485.66 g/mol, XLogP of 6.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[5-[(1R)-2-methylcyclopentyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;thiomorpholine is sourced from PubChem (CID 144866314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).