3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine

C34H49F2N7O2 — CID 175761270

IUPAC3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine
SMILESCc1nn(C2CCCNC2)c2cccc(OCC3CC(OC4CCN(CC5CCC(n6cc(N)c(C(F)F)n6)CC5)CC4)C3)c12
InChIInChI=1S/C34H49F2N7O2/c1-22-32-30(43(39-22)26-4-3-13-38-18-26)5-2-6-31(32)44-21-24-16-28(17-24)45-27-11-14-41(15-12-27)19-23-7-9-25(10-8-23)42-20-29(37)33(40-42)34(35)36/h2,5-6,20,23-28,34,38H,3-4,7-19,21,37H2,1H3
InChIKeyFMWSUKCPSIBXDR-UHFFFAOYSA-N
MW625.81 g/mol
LogP6.06
Rot. Bonds10

About 3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine

3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine (PubChem CID 175761270) has the molecular formula C34H49F2N7O2 and a molecular weight of 625.81 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine
PubChem CID175761270
Molecular FormulaC34H49F2N7O2
Molecular Weight625.81 g/mol
Exact Mass625.39
IUPAC Name3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine
SMILESCc1nn(C2CCCNC2)c2cccc(OCC3CC(OC4CCN(CC5CCC(n6cc(N)c(C(F)F)n6)CC5)CC4)C3)c12
InChIInChI=1S/C34H49F2N7O2/c1-22-32-30(43(39-22)26-4-3-13-38-18-26)5-2-6-31(32)44-21-24-16-28(17-24)45-27-11-14-41(15-12-27)19-23-7-9-25(10-8-23)42-20-29(37)33(40-42)34(35)36/h2,5-6,20,23-28,34,38H,3-4,7-19,21,37H2,1H3
InChIKeyFMWSUKCPSIBXDR-UHFFFAOYSA-N
XLogP6.06
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.81
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine?
The IUPAC name of 3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine (CID 175761270) is 3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine?
The canonical SMILES for 3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine is Cc1nn(C2CCCNC2)c2cccc(OCC3CC(OC4CCN(CC5CCC(n6cc(N)c(C(F)F)n6)CC5)CC4)C3)c12.
What is the InChIKey of 3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine?
The InChIKey is FMWSUKCPSIBXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49F2N7O2/c1-22-32-30(43(39-22)26-4-3-13-38-18-26)5-2-6-31(32)44-21-24-16-28(17-24)45-27-11-14-41(15-12-27)19-23-7-9-25(10-8-23)42-20-29(37)33(40-42)34(35)36/h2,5-6,20,23-28,34,38H,3-4,7-19,21,37H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine?
3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine has a molecular weight of 625.81 g/mol, XLogP of 6.06, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine is sourced from PubChem (CID 175761270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).