2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine

C26H30F2N8 — CID 162647710

IUPAC2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine
SMILESCn1ccnc1N1CCN(CC2CCN(c3nccc4[nH]c(-c5cc(F)cc(F)c5)nc34)CC2)CC1
InChIInChI=1S/C26H30F2N8/c1-33-9-6-30-26(33)36-12-10-34(11-13-36)17-18-3-7-35(8-4-18)25-23-22(2-5-29-25)31-24(32-23)19-14-20(27)16-21(28)15-19/h2,5-6,9,14-16,18H,3-4,7-8,10-13,17H2,1H3,(H,31,32)
InChIKeyLYUJJPWDTHASFJ-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.68
Rot. Bonds5

About 2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine

2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 162647710) has the molecular formula C26H30F2N8 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID162647710
Molecular FormulaC26H30F2N8
Molecular Weight492.58 g/mol
Exact Mass492.26
IUPAC Name2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine
SMILESCn1ccnc1N1CCN(CC2CCN(c3nccc4[nH]c(-c5cc(F)cc(F)c5)nc34)CC2)CC1
InChIInChI=1S/C26H30F2N8/c1-33-9-6-30-26(33)36-12-10-34(11-13-36)17-18-3-7-35(8-4-18)25-23-22(2-5-29-25)31-24(32-23)19-14-20(27)16-21(28)15-19/h2,5-6,9,14-16,18H,3-4,7-8,10-13,17H2,1H3,(H,31,32)
InChIKeyLYUJJPWDTHASFJ-UHFFFAOYSA-N
XLogP3.68
TPSA69.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine (CID 162647710) is 2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine is Cn1ccnc1N1CCN(CC2CCN(c3nccc4[nH]c(-c5cc(F)cc(F)c5)nc34)CC2)CC1.
What is the InChIKey of 2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is LYUJJPWDTHASFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N8/c1-33-9-6-30-26(33)36-12-10-34(11-13-36)17-18-3-7-35(8-4-18)25-23-22(2-5-29-25)31-24(32-23)19-14-20(27)16-21(28)15-19/h2,5-6,9,14-16,18H,3-4,7-8,10-13,17H2,1H3,(H,31,32).
What are the key properties of 2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine?
2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 492.58 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-4-[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 162647710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).