3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

C24H31F2N5O2 — CID 118185415

IUPAC3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC4(CCCO4)C3)C[C@@H]12
InChIInChI=1S/C24H31F2N5O2/c1-13(2)31-19(9-18(29-31)14-6-20(33-23(25)26)22(27)28-10-14)21-16-7-15(8-17(16)21)30-11-24(12-30)4-3-5-32-24/h6,9-10,13,15-17,21,23H,3-5,7-8,11-12H2,1-2H3,(H2,27,28)/t15?,16-,17+,21?
InChIKeyMJIWTMVUDKUWBH-RWUJISRFSA-N
MW459.54 g/mol
LogP4.07
Rot. Bonds6

About 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 118185415) has the molecular formula C24H31F2N5O2 and a molecular weight of 459.54 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
PubChem CID118185415
Molecular FormulaC24H31F2N5O2
Molecular Weight459.54 g/mol
Exact Mass459.24
IUPAC Name3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC4(CCCO4)C3)C[C@@H]12
InChIInChI=1S/C24H31F2N5O2/c1-13(2)31-19(9-18(29-31)14-6-20(33-23(25)26)22(27)28-10-14)21-16-7-15(8-17(16)21)30-11-24(12-30)4-3-5-32-24/h6,9-10,13,15-17,21,23H,3-5,7-8,11-12H2,1-2H3,(H2,27,28)/t15?,16-,17+,21?
InChIKeyMJIWTMVUDKUWBH-RWUJISRFSA-N
XLogP4.07
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 118185415) is 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CC4(CCCO4)C3)C[C@@H]12.
What is the InChIKey of 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The InChIKey is MJIWTMVUDKUWBH-RWUJISRFSA-N. The full InChI is InChI=1S/C24H31F2N5O2/c1-13(2)31-19(9-18(29-31)14-6-20(33-23(25)26)22(27)28-10-14)21-16-7-15(8-17(16)21)30-11-24(12-30)4-3-5-32-24/h6,9-10,13,15-17,21,23H,3-5,7-8,11-12H2,1-2H3,(H2,27,28)/t15?,16-,17+,21?.
What are the key properties of 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 459.54 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 118185415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).