5-[5-[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

C23H28F3N5O2 — CID 140678167

IUPAC5-[5-[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
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2CC(N3C[C@@H]4C[C@H]3CO4)CC21
InChIInChI=1S/C23H28F3N5O2/c1-11(2)31-19(7-18(29-31)12-3-20(22(27)28-8-12)33-23(24,25)26)21-16-5-13(6-17(16)21)30-9-15-4-14(30)10-32-15/h3,7-8,11,13-17,21H,4-6,9-10H2,1-2H3,(H2,27,28)/t13?,14-,15-,16?,17?,21?/m0/s1
InChIKeyRLQQZRFBODYCKR-NECHAVRFSA-N
MW463.50 g/mol
LogP3.97
Rot. Bonds5

About 5-[5-[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

5-[5-[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 (PubChem CID 140678167) has the molecular formula C23H28F3N5O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 5-[5-[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.

Molecular Properties

Compound Name5-[5-[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
PubChem CID140678167
Molecular FormulaC23H28F3N5O2
Molecular Weight463.50 g/mol
Exact Mass463.22
IUPAC Name5-[5-[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
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2CC(N3C[C@@H]4C[C@H]3CO4)CC21
InChIInChI=1S/C23H28F3N5O2/c1-11(2)31-19(7-18(29-31)12-3-20(22(27)28-8-12)33-23(24,25)26)21-16-5-13(6-17(16)21)30-9-15-4-14(30)10-32-15/h3,7-8,11,13-17,21H,4-6,9-10H2,1-2H3,(H2,27,28)/t13?,14-,15-,16?,17?,21?/m0/s1
InChIKeyRLQQZRFBODYCKR-NECHAVRFSA-N
XLogP3.97
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-[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 with MolForge

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Launch Full Analysis

Related Compounds

Gdc-0134
CID 86298636
3-Methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 78318141
3-methoxy-5-[5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 90292708
3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 90292721
Dlk-IN-1
CID 90292823
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 117678327
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 117678371
3-(difluoromethoxy)-5-[2-[(3S)-3-fluoropyrrolidin-1-yl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117678422
1-[(1S,5R)-6-[6-[6-amino-5-(difluoromethoxy)pyridin-3-yl]-2-(2-azabicyclo[2.1.1]hexan-2-yl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-methylpropan-2-ol
CID 117682715
3-(difluoromethoxy)-5-[2-(3-fluoro-4-methylpyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688571
3-(difluoromethoxy)-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688605
3-(difluoromethoxy)-5-[2-(3,3-difluoro-2-methylpyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688750

Frequently Asked Questions

What is the IUPAC name of 5-[5-[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?
The IUPAC name of 5-[5-[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 140678167) is 5-[5-[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.
What is the SMILES notation for 5-[5-[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?
The canonical SMILES for 5-[5-[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 is CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2CC(N3C[C@@H]4C[C@H]3CO4)CC21.
What is the InChIKey of 5-[5-[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?
The InChIKey is RLQQZRFBODYCKR-NECHAVRFSA-N. The full InChI is InChI=1S/C23H28F3N5O2/c1-11(2)31-19(7-18(29-31)12-3-20(22(27)28-8-12)33-23(24,25)26)21-16-5-13(6-17(16)21)30-9-15-4-14(30)10-32-15/h3,7-8,11,13-17,21H,4-6,9-10H2,1-2H3,(H2,27,28)/t13?,14-,15-,16?,17?,21?/m0/s1.
What are the key properties of 5-[5-[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?
5-[5-[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 has a molecular weight of 463.50 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[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 is sourced from PubChem (CID 140678167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).