9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

C21H23F2N5O — CID 162659270

IUPAC9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCOC2(CCN(c3nccc4[nH]c(-c5cc(F)cc(F)c5)nc34)CC2)C1
InChIInChI=1S/C21H23F2N5O/c1-27-8-9-29-21(13-27)3-6-28(7-4-21)20-18-17(2-5-24-20)25-19(26-18)14-10-15(22)12-16(23)11-14/h2,5,10-12H,3-4,6-9,13H2,1H3,(H,25,26)
InChIKeyDFJJQJGEFQMDKY-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.20
Rot. Bonds2

About 9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 162659270) has the molecular formula C21H23F2N5O and a molecular weight of 399.45 g/mol. Its IUPAC name is 9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID162659270
Molecular FormulaC21H23F2N5O
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCOC2(CCN(c3nccc4[nH]c(-c5cc(F)cc(F)c5)nc34)CC2)C1
InChIInChI=1S/C21H23F2N5O/c1-27-8-9-29-21(13-27)3-6-28(7-4-21)20-18-17(2-5-24-20)25-19(26-18)14-10-15(22)12-16(23)11-14/h2,5,10-12H,3-4,6-9,13H2,1H3,(H,25,26)
InChIKeyDFJJQJGEFQMDKY-UHFFFAOYSA-N
XLogP3.20
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 162659270) is 9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is CN1CCOC2(CCN(c3nccc4[nH]c(-c5cc(F)cc(F)c5)nc34)CC2)C1.
What is the InChIKey of 9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is DFJJQJGEFQMDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O/c1-27-8-9-29-21(13-27)3-6-28(7-4-21)20-18-17(2-5-24-20)25-19(26-18)14-10-15(22)12-16(23)11-14/h2,5,10-12H,3-4,6-9,13H2,1H3,(H,25,26).
What are the key properties of 9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 399.45 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3,5-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 162659270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).