3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C68H90F9N15O3 — CID 158752452

IUPAC3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N(C)CCCO)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC[C@H](F)C3)C[C@@H]12.CO[C@H]1CCCN(C2C[C@@H]3C(c4cc(-c5cnc(N)c(C(F)(F)F)c5)nn4C(C)C)[C@@H]3C2)C1
InChIInChI=1S/C24H32F3N5O.C22H28F3N5O.C22H30F3N5O/c1-13(2)32-21(10-20(30-32)14-7-19(24(25,26)27)23(28)29-11-14)22-17-8-15(9-18(17)22)31-6-4-5-16(12-31)33-3;1-11(2)30-18(20-15-6-14(7-16(15)20)29-4-3-13(23)10-29)8-17(28-30)12-5-19(31-22(24)25)21(26)27-9-12;1-12(2)30-19(20-15-8-14(9-16(15)20)29(3)5-4-6-31)10-18(28-30)13-7-17(22(23,24)25)21(26)27-11-13/h7,10-11,13,15-18,22H,4-6,8-9,12H2,1-3H3,(H2,28,29);5,8-9,11,13-16,20,22H,3-4,6-7,10H2,1-2H3,(H2,26,27);7,10-12,14-16,20,31H,4-6,8-9H2,1-3H3,(H2,26,27)/t15?,16-,17-,18+,22?;13-,14?,15-,16+,20?;14?,15-,16+,20?/m00./s1
InChIKeyINQOUXCTSOMNPB-MMUPCQNBSA-N
MW1336.55 g/mol
LogP12.91
Rot. Bonds18

About 3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 158752452) has the molecular formula C68H90F9N15O3 and a molecular weight of 1336.55 g/mol. Its IUPAC name is 3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID158752452
Molecular FormulaC68H90F9N15O3
Molecular Weight1336.55 g/mol
Exact Mass1335.72
IUPAC Name3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N(C)CCCO)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC[C@H](F)C3)C[C@@H]12.CO[C@H]1CCCN(C2C[C@@H]3C(c4cc(-c5cnc(N)c(C(F)(F)F)c5)nn4C(C)C)[C@@H]3C2)C1
InChIInChI=1S/C24H32F3N5O.C22H28F3N5O.C22H30F3N5O/c1-13(2)32-21(10-20(30-32)14-7-19(24(25,26)27)23(28)29-11-14)22-17-8-15(9-18(17)22)31-6-4-5-16(12-31)33-3;1-11(2)30-18(20-15-6-14(7-16(15)20)29-4-3-13(23)10-29)8-17(28-30)12-5-19(31-22(24)25)21(26)27-9-12;1-12(2)30-19(20-15-8-14(9-16(15)20)29(3)5-4-6-31)10-18(28-30)13-7-17(22(23,24)25)21(26)27-11-13/h7,10-11,13,15-18,22H,4-6,8-9,12H2,1-3H3,(H2,28,29);5,8-9,11,13-16,20,22H,3-4,6-7,10H2,1-2H3,(H2,26,27);7,10-12,14-16,20,31H,4-6,8-9H2,1-3H3,(H2,26,27)/t15?,16-,17-,18+,22?;13-,14?,15-,16+,20?;14?,15-,16+,20?/m00./s1
InChIKeyINQOUXCTSOMNPB-MMUPCQNBSA-N
XLogP12.91
TPSA218.60 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001336.55
LogP ≤ 512.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-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
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
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
5-[2-(cyclopropylmethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 118161633
5-[5-[(1S,5R)-3-[(1R,4R)-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 118161654

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 158752452) is 3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N(C)CCCO)C[C@@H]12.CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC[C@H](F)C3)C[C@@H]12.CO[C@H]1CCCN(C2C[C@@H]3C(c4cc(-c5cnc(N)c(C(F)(F)F)c5)nn4C(C)C)[C@@H]3C2)C1.
What is the InChIKey of 3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is INQOUXCTSOMNPB-MMUPCQNBSA-N. The full InChI is InChI=1S/C24H32F3N5O.C22H28F3N5O.C22H30F3N5O/c1-13(2)32-21(10-20(30-32)14-7-19(24(25,26)27)23(28)29-11-14)22-17-8-15(9-18(17)22)31-6-4-5-16(12-31)33-3;1-11(2)30-18(20-15-6-14(7-16(15)20)29-4-3-13(23)10-29)8-17(28-30)12-5-19(31-22(24)25)21(26)27-9-12;1-12(2)30-19(20-15-8-14(9-16(15)20)29(3)5-4-6-31)10-18(28-30)13-7-17(22(23,24)25)21(26)27-11-13/h7,10-11,13,15-18,22H,4-6,8-9,12H2,1-3H3,(H2,28,29);5,8-9,11,13-16,20,22H,3-4,6-7,10H2,1-2H3,(H2,26,27);7,10-12,14-16,20,31H,4-6,8-9H2,1-3H3,(H2,26,27)/t15?,16-,17-,18+,22?;13-,14?,15-,16+,20?;14?,15-,16+,20?/m00./s1.
What are the key properties of 3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1336.55 g/mol, XLogP of 12.91, 18 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-methylamino]propan-1-ol;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-[(3S)-3-fluoropyrrolidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1R,5S)-3-[(3S)-3-methoxypiperidin-1-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 158752452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).