4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine

C22H25F2N5O — CID 162655173

IUPAC4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine
SMILESFc1ccc(-c2nc3c(N4CCC(CN5CCOCC5)CC4)nccc3[nH]2)cc1F
InChIInChI=1S/C22H25F2N5O/c23-17-2-1-16(13-18(17)24)21-26-19-3-6-25-22(20(19)27-21)29-7-4-15(5-8-29)14-28-9-11-30-12-10-28/h1-3,6,13,15H,4-5,7-12,14H2,(H,26,27)
InChIKeyRCAUJOZXAQLSAJ-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.45
Rot. Bonds4

About 4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine

4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine (PubChem CID 162655173) has the molecular formula C22H25F2N5O and a molecular weight of 413.47 g/mol. Its IUPAC name is 4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine
PubChem CID162655173
Molecular FormulaC22H25F2N5O
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine
SMILESFc1ccc(-c2nc3c(N4CCC(CN5CCOCC5)CC4)nccc3[nH]2)cc1F
InChIInChI=1S/C22H25F2N5O/c23-17-2-1-16(13-18(17)24)21-26-19-3-6-25-22(20(19)27-21)29-7-4-15(5-8-29)14-28-9-11-30-12-10-28/h1-3,6,13,15H,4-5,7-12,14H2,(H,26,27)
InChIKeyRCAUJOZXAQLSAJ-UHFFFAOYSA-N
XLogP3.45
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine (CID 162655173) is 4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine is Fc1ccc(-c2nc3c(N4CCC(CN5CCOCC5)CC4)nccc3[nH]2)cc1F.
What is the InChIKey of 4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine?
The InChIKey is RCAUJOZXAQLSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O/c23-17-2-1-16(13-18(17)24)21-26-19-3-6-25-22(20(19)27-21)29-7-4-15(5-8-29)14-28-9-11-30-12-10-28/h1-3,6,13,15H,4-5,7-12,14H2,(H,26,27).
What are the key properties of 4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine?
4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine has a molecular weight of 413.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-(3,4-difluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 162655173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).