5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine

C23H29F2N5O2 — CID 118161572

IUPAC5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)n(C3CCC3)n2)cc1OC(F)F
InChIInChI=1S/C23H29F2N5O2/c24-23(25)32-20-8-13(12-27-22(20)26)18-11-19(30(28-18)14-2-1-3-14)21-16-9-15(10-17(16)21)29-4-6-31-7-5-29/h8,11-12,14-17,21,23H,1-7,9-10H2,(H2,26,27)/t15?,16-,17+,21?
InChIKeyRSLBSHCEFBKFBC-RWUJISRFSA-N
MW445.51 g/mol
LogP3.68
Rot. Bonds6

About 5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine

5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 118161572) has the molecular formula C23H29F2N5O2 and a molecular weight of 445.51 g/mol. Its IUPAC name is 5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
PubChem CID118161572
Molecular FormulaC23H29F2N5O2
Molecular Weight445.51 g/mol
Exact Mass445.23
IUPAC Name5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)n(C3CCC3)n2)cc1OC(F)F
InChIInChI=1S/C23H29F2N5O2/c24-23(25)32-20-8-13(12-27-22(20)26)18-11-19(30(28-18)14-2-1-3-14)21-16-9-15(10-17(16)21)29-4-6-31-7-5-29/h8,11-12,14-17,21,23H,1-7,9-10H2,(H2,26,27)/t15?,16-,17+,21?
InChIKeyRSLBSHCEFBKFBC-RWUJISRFSA-N
XLogP3.68
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine (CID 118161572) is 5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cc(C3[C@H]4CC(N5CCOCC5)C[C@@H]34)n(C3CCC3)n2)cc1OC(F)F.
What is the InChIKey of 5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
The InChIKey is RSLBSHCEFBKFBC-RWUJISRFSA-N. The full InChI is InChI=1S/C23H29F2N5O2/c24-23(25)32-20-8-13(12-27-22(20)26)18-11-19(30(28-18)14-2-1-3-14)21-16-9-15(10-17(16)21)29-4-6-31-7-5-29/h8,11-12,14-17,21,23H,1-7,9-10H2,(H2,26,27)/t15?,16-,17+,21?.
What are the key properties of 5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 445.51 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclobutyl-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 118161572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).