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

C26H37F2N5O2 — CID 162616420

IUPAC3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine
SMILESCC(CCC1[C@H]2C(N3CCOC[C@@H]3C)C[C@@H](C)[C@@]12C)n1ccc(-c2cnc(N)c(OC(F)F)c2)n1
InChIInChI=1S/C26H37F2N5O2/c1-15-11-21(32-9-10-34-14-17(32)3)23-19(26(15,23)4)6-5-16(2)33-8-7-20(31-33)18-12-22(35-25(27)28)24(29)30-13-18/h7-8,12-13,15-17,19,21,23,25H,5-6,9-11,14H2,1-4H3,(H2,29,30)/t15-,16?,17+,19?,21?,23+,26+/m1/s1
InChIKeyAUIIHARSSIAJCE-XYCGMIIHSA-N
MW489.61 g/mol
LogP4.85
Rot. Bonds8

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

3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine (PubChem CID 162616420) has the molecular formula C26H37F2N5O2 and a molecular weight of 489.61 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine
PubChem CID162616420
Molecular FormulaC26H37F2N5O2
Molecular Weight489.61 g/mol
Exact Mass489.29
IUPAC Name3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine
SMILESCC(CCC1[C@H]2C(N3CCOC[C@@H]3C)C[C@@H](C)[C@@]12C)n1ccc(-c2cnc(N)c(OC(F)F)c2)n1
InChIInChI=1S/C26H37F2N5O2/c1-15-11-21(32-9-10-34-14-17(32)3)23-19(26(15,23)4)6-5-16(2)33-8-7-20(31-33)18-12-22(35-25(27)28)24(29)30-13-18/h7-8,12-13,15-17,19,21,23,25H,5-6,9-11,14H2,1-4H3,(H2,29,30)/t15-,16?,17+,19?,21?,23+,26+/m1/s1
InChIKeyAUIIHARSSIAJCE-XYCGMIIHSA-N
XLogP4.85
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine (CID 162616420) is 3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine is CC(CCC1[C@H]2C(N3CCOC[C@@H]3C)C[C@@H](C)[C@@]12C)n1ccc(-c2cnc(N)c(OC(F)F)c2)n1.
What is the InChIKey of 3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine?
The InChIKey is AUIIHARSSIAJCE-XYCGMIIHSA-N. The full InChI is InChI=1S/C26H37F2N5O2/c1-15-11-21(32-9-10-34-14-17(32)3)23-19(26(15,23)4)6-5-16(2)33-8-7-20(31-33)18-12-22(35-25(27)28)24(29)30-13-18/h7-8,12-13,15-17,19,21,23,25H,5-6,9-11,14H2,1-4H3,(H2,29,30)/t15-,16?,17+,19?,21?,23+,26+/m1/s1.
What are the key properties of 3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine?
3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine has a molecular weight of 489.61 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 162616420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).