5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C67H83F9N16O3 — CID 160502306

IUPAC5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N3CCO[C@@H](C)C3)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(n3cccn3)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CCO[C@@H](C)C3)C[C@@H]12
InChIInChI=1S/C23H30F3N5O2.C23H30F3N5O.C21H23F3N6/c1-12(2)31-19(21-16-7-15(8-17(16)21)30-4-5-32-13(3)11-30)9-18(29-31)14-6-20(22(27)28-10-14)33-23(24,25)26;1-12(2)31-20(9-19(29-31)14-6-18(23(24,25)26)22(27)28-10-14)21-16-7-15(8-17(16)21)30-4-5-32-13(3)11-30;1-11(2)30-18(19-14-7-13(8-15(14)19)29-5-3-4-27-29)9-17(28-30)12-6-16(21(22,23)24)20(25)26-10-12/h6,9-10,12-13,15-17,21H,4-5,7-8,11H2,1-3H3,(H2,27,28);6,9-10,12-13,15-17,21H,4-5,7-8,11H2,1-3H3,(H2,27,28);3-6,9-11,13-15,19H,7-8H2,1-2H3,(H2,25,26)/t2*13-,15?,16-,17+,21?;13?,14-,15+,19?/m00./s1
InChIKeyQRYFBUBBQNUZPD-XCODEQLMSA-N
MW1331.49 g/mol
LogP13.25
Rot. Bonds13

About 5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 160502306) has the molecular formula C67H83F9N16O3 and a molecular weight of 1331.49 g/mol. Its IUPAC name is 5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID160502306
Molecular FormulaC67H83F9N16O3
Molecular Weight1331.49 g/mol
Exact Mass1330.67
IUPAC Name5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N3CCO[C@@H](C)C3)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(n3cccn3)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CCO[C@@H](C)C3)C[C@@H]12
InChIInChI=1S/C23H30F3N5O2.C23H30F3N5O.C21H23F3N6/c1-12(2)31-19(21-16-7-15(8-17(16)21)30-4-5-32-13(3)11-30)9-18(29-31)14-6-20(22(27)28-10-14)33-23(24,25)26;1-12(2)31-20(9-19(29-31)14-6-18(23(24,25)26)22(27)28-10-14)21-16-7-15(8-17(16)21)30-4-5-32-13(3)11-30;1-11(2)30-18(19-14-7-13(8-15(14)19)29-5-3-4-27-29)9-17(28-30)12-6-16(21(22,23)24)20(25)26-10-12/h6,9-10,12-13,15-17,21H,4-5,7-8,11H2,1-3H3,(H2,27,28);6,9-10,12-13,15-17,21H,4-5,7-8,11H2,1-3H3,(H2,27,28);3-6,9-11,13-15,19H,7-8H2,1-2H3,(H2,25,26)/t2*13-,15?,16-,17+,21?;13?,14-,15+,19?/m00./s1
InChIKeyQRYFBUBBQNUZPD-XCODEQLMSA-N
XLogP13.25
TPSA222.18 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001331.49
LogP ≤ 513.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-(difluoromethoxy)-5-[5-[(1S,5R)-3-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 118161571
5-[5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 118161575
3-(difluoromethoxy)-5-[5-[(1S,5R)-3-[(3S)-3-methoxypyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 118161585
3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3-methoxypyrrolidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 118161586
5-[5-[(1S,5R)-3-[(3R)-3-methoxypyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 118161590
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-[1-cyclopentyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 118161614
3-(difluoromethoxy)-5-[5-[(1S,5R)-3-[(3R)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 118161616
5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 118161621
5-[5-[(1S,5R)-3-(2-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 118161622
3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 118161627
5-[5-[(1S,5R)-3-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 118161629

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 160502306) is 5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N3CCO[C@@H](C)C3)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(n3cccn3)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC(N3CCO[C@@H](C)C3)C[C@@H]12.
What is the InChIKey of 5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QRYFBUBBQNUZPD-XCODEQLMSA-N. The full InChI is InChI=1S/C23H30F3N5O2.C23H30F3N5O.C21H23F3N6/c1-12(2)31-19(21-16-7-15(8-17(16)21)30-4-5-32-13(3)11-30)9-18(29-31)14-6-20(22(27)28-10-14)33-23(24,25)26;1-12(2)31-20(9-19(29-31)14-6-18(23(24,25)26)22(27)28-10-14)21-16-7-15(8-17(16)21)30-4-5-32-13(3)11-30;1-11(2)30-18(19-14-7-13(8-15(14)19)29-5-3-4-27-29)9-17(28-30)12-6-16(21(22,23)24)20(25)26-10-12/h6,9-10,12-13,15-17,21H,4-5,7-8,11H2,1-3H3,(H2,27,28);6,9-10,12-13,15-17,21H,4-5,7-8,11H2,1-3H3,(H2,27,28);3-6,9-11,13-15,19H,7-8H2,1-2H3,(H2,25,26)/t2*13-,15?,16-,17+,21?;13?,14-,15+,19?/m00./s1.
What are the key properties of 5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1331.49 g/mol, XLogP of 13.25, 13 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1S,5R)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1R,5S)-3-[(2S)-2-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[1-propan-2-yl-5-[(1R,5S)-3-pyrazol-1-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 160502306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).