6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine

C18H24F3N5O2 — CID 151837373

IUPAC6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine
SMILESCC(C)n1nc(OCC(F)(F)F)cc1CNc1ccc([C@@H]2CNCCO2)nc1
InChIInChI=1S/C18H24F3N5O2/c1-12(2)26-14(7-17(25-26)28-11-18(19,20)21)9-23-13-3-4-15(24-8-13)16-10-22-5-6-27-16/h3-4,7-8,12,16,22-23H,5-6,9-11H2,1-2H3/t16-/m0/s1
InChIKeySFYCJFSIPWXAKZ-INIZCTEOSA-N
MW399.42 g/mol
LogP3.07
Rot. Bonds7

About 6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine

6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine (PubChem CID 151837373) has the molecular formula C18H24F3N5O2 and a molecular weight of 399.42 g/mol. Its IUPAC name is 6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine
PubChem CID151837373
Molecular FormulaC18H24F3N5O2
Molecular Weight399.42 g/mol
Exact Mass399.19
IUPAC Name6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine
SMILESCC(C)n1nc(OCC(F)(F)F)cc1CNc1ccc([C@@H]2CNCCO2)nc1
InChIInChI=1S/C18H24F3N5O2/c1-12(2)26-14(7-17(25-26)28-11-18(19,20)21)9-23-13-3-4-15(24-8-13)16-10-22-5-6-27-16/h3-4,7-8,12,16,22-23H,5-6,9-11H2,1-2H3/t16-/m0/s1
InChIKeySFYCJFSIPWXAKZ-INIZCTEOSA-N
XLogP3.07
TPSA73.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 24936042
5-{[(4,4-Difluoro-3-piperidinyl)methyl]oxy}-7-(1-methyl-1H-pyrazol-4-yl)pyrido[3,4-b]pyrazine
CID 66556201
5-[(5,5-Difluoropiperidin-3-yl)methoxy]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazine
CID 68289700
US10034861, Example 77
CID 132273376
2-(1-methylpyrazol-4-yl)-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]acetamide
CID 138670790
(2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 95289236
1-[[5-[(1,3-Dimethylpyrazol-4-yl)amino]-4-methyl-2-pyridinyl]methyl]-3-[2-ethoxy-6-(trifluoromethyl)-4-pyridinyl]urea
CID 164621933
US9840501, Example 93
CID 118485016
US9840501, Example 99
CID 118485029
US10034861, Example 107
CID 132273405
US10034861, Example 117
CID 132273416
US10766893, Example S165
CID 132273458

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine?
The IUPAC name of 6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine (CID 151837373) is 6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine.
What is the SMILES notation for 6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine?
The canonical SMILES for 6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine is CC(C)n1nc(OCC(F)(F)F)cc1CNc1ccc([C@@H]2CNCCO2)nc1.
What is the InChIKey of 6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine?
The InChIKey is SFYCJFSIPWXAKZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24F3N5O2/c1-12(2)26-14(7-17(25-26)28-11-18(19,20)21)9-23-13-3-4-15(24-8-13)16-10-22-5-6-27-16/h3-4,7-8,12,16,22-23H,5-6,9-11H2,1-2H3/t16-/m0/s1.
What are the key properties of 6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine?
6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine has a molecular weight of 399.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-morpholin-2-yl]-N-[[1-propan-2-yl-3-(2,2,2-trifluoroethoxy)pyrazol-5-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 151837373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).