3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

C24H32F3N5O2 — CID 154971601

IUPAC3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C12CCC(N3CCOCC(F)C3)C[C@H]1C2
InChIInChI=1S/C24H32F3N5O2/c1-14(2)32-21(9-19(30-32)15-7-20(34-23(26)27)22(28)29-11-15)24-4-3-18(8-16(24)10-24)31-5-6-33-13-17(25)12-31/h7,9,11,14,16-18,23H,3-6,8,10,12-13H2,1-2H3,(H2,28,29)/t16-,17?,18?,24?/m0/s1
InChIKeyFOBGGMXVXSBMCN-LKMBUZEBSA-N
MW479.55 g/mol
LogP4.19
Rot. Bonds6

About 3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 154971601) has the molecular formula C24H32F3N5O2 and a molecular weight of 479.55 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
PubChem CID154971601
Molecular FormulaC24H32F3N5O2
Molecular Weight479.55 g/mol
Exact Mass479.25
IUPAC Name3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C12CCC(N3CCOCC(F)C3)C[C@H]1C2
InChIInChI=1S/C24H32F3N5O2/c1-14(2)32-21(9-19(30-32)15-7-20(34-23(26)27)22(28)29-11-15)24-4-3-18(8-16(24)10-24)31-5-6-33-13-17(25)12-31/h7,9,11,14,16-18,23H,3-6,8,10,12-13H2,1-2H3,(H2,28,29)/t16-,17?,18?,24?/m0/s1
InChIKeyFOBGGMXVXSBMCN-LKMBUZEBSA-N
XLogP4.19
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-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-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 154971601) is 3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C12CCC(N3CCOCC(F)C3)C[C@H]1C2.
What is the InChIKey of 3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The InChIKey is FOBGGMXVXSBMCN-LKMBUZEBSA-N. The full InChI is InChI=1S/C24H32F3N5O2/c1-14(2)32-21(9-19(30-32)15-7-20(34-23(26)27)22(28)29-11-15)24-4-3-18(8-16(24)10-24)31-5-6-33-13-17(25)12-31/h7,9,11,14,16-18,23H,3-6,8,10,12-13H2,1-2H3,(H2,28,29)/t16-,17?,18?,24?/m0/s1.
What are the key properties of 3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 479.55 g/mol, XLogP of 4.19, 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-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 154971601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).