(2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone

C27H26F2N4O — CID 97447648

IUPAC(2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone
SMILESCC(C)n1cnc2c(-c3ccccc3)nc(C3CCN(C(=O)c4cc(F)ccc4F)CC3)cc21
InChIInChI=1S/C27H26F2N4O/c1-17(2)33-16-30-26-24(33)15-23(31-25(26)19-6-4-3-5-7-19)18-10-12-32(13-11-18)27(34)21-14-20(28)8-9-22(21)29/h3-9,14-18H,10-13H2,1-2H3
InChIKeyRXOZWFDJPTWFKM-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.98
Rot. Bonds4

About (2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone

(2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone (PubChem CID 97447648) has the molecular formula C27H26F2N4O and a molecular weight of 460.53 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone
PubChem CID97447648
Molecular FormulaC27H26F2N4O
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name(2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone
SMILESCC(C)n1cnc2c(-c3ccccc3)nc(C3CCN(C(=O)c4cc(F)ccc4F)CC3)cc21
InChIInChI=1S/C27H26F2N4O/c1-17(2)33-16-30-26-24(33)15-23(31-25(26)19-6-4-3-5-7-19)18-10-12-32(13-11-18)27(34)21-14-20(28)8-9-22(21)29/h3-9,14-18H,10-13H2,1-2H3
InChIKeyRXOZWFDJPTWFKM-UHFFFAOYSA-N
XLogP5.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155850430
furan-3-yl-[4-(1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone
CID 97415351
[4-(1-propan-2-yl-4-pyrrolidin-1-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 97447633
furan-3-yl-[4-(1-methyl-4-phenylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155850386
1-propan-2-yl-4-pyridin-3-yl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridine
CID 97415349
[4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]-phenylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155837911
(2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 97019126
5-methyl-3-[[4-(1-propan-2-yl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 97447652
N,N-dimethyl-4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidine-1-carboxamide
CID 97415290
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
(2,5-difluorophenyl)-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 53121835
(2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627195

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone (CID 97447648) is (2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone is CC(C)n1cnc2c(-c3ccccc3)nc(C3CCN(C(=O)c4cc(F)ccc4F)CC3)cc21.
What is the InChIKey of (2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone?
The InChIKey is RXOZWFDJPTWFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O/c1-17(2)33-16-30-26-24(33)15-23(31-25(26)19-6-4-3-5-7-19)18-10-12-32(13-11-18)27(34)21-14-20(28)8-9-22(21)29/h3-9,14-18H,10-13H2,1-2H3.
What are the key properties of (2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone?
(2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone has a molecular weight of 460.53 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[4-(4-phenyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97447648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).