4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine

C24H26F2N8O — CID 154601426

IUPAC4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESCc1cnc(NC2CCC(N)CC2)nc1-c1cnc2ccc(Nc3ccc(OC(F)F)nc3)cn12
InChIInChI=1S/C24H26F2N8O/c1-14-10-30-24(32-16-4-2-15(27)3-5-16)33-22(14)19-12-28-20-8-6-18(13-34(19)20)31-17-7-9-21(29-11-17)35-23(25)26/h6-13,15-16,23,31H,2-5,27H2,1H3,(H,30,32,33)
InChIKeyUCOKOSIZFPNXIJ-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.52
Rot. Bonds7

About 4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine

4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine (PubChem CID 154601426) has the molecular formula C24H26F2N8O and a molecular weight of 480.52 g/mol. Its IUPAC name is 4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine
PubChem CID154601426
Molecular FormulaC24H26F2N8O
Molecular Weight480.52 g/mol
Exact Mass480.22
IUPAC Name4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESCc1cnc(NC2CCC(N)CC2)nc1-c1cnc2ccc(Nc3ccc(OC(F)F)nc3)cn12
InChIInChI=1S/C24H26F2N8O/c1-14-10-30-24(32-16-4-2-15(27)3-5-16)33-22(14)19-12-28-20-8-6-18(13-34(19)20)31-17-7-9-21(29-11-17)35-23(25)26/h6-13,15-16,23,31H,2-5,27H2,1H3,(H,30,32,33)
InChIKeyUCOKOSIZFPNXIJ-UHFFFAOYSA-N
XLogP4.52
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine (CID 154601426) is 4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine is Cc1cnc(NC2CCC(N)CC2)nc1-c1cnc2ccc(Nc3ccc(OC(F)F)nc3)cn12.
What is the InChIKey of 4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is UCOKOSIZFPNXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N8O/c1-14-10-30-24(32-16-4-2-15(27)3-5-16)33-22(14)19-12-28-20-8-6-18(13-34(19)20)31-17-7-9-21(29-11-17)35-23(25)26/h6-13,15-16,23,31H,2-5,27H2,1H3,(H,30,32,33).
What are the key properties of 4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine?
4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 480.52 g/mol, XLogP of 4.52, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[6-[[6-(difluoromethoxy)-3-pyridinyl]amino]imidazo[1,2-a]pyridin-3-yl]-5-methylpyrimidin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 154601426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).