[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone

C25H26F3N5O2 — CID 134800138

IUPAC[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1
InChIInChI=1S/C25H26F3N5O2/c26-25(27,28)19-7-5-17(6-8-19)23(34)33-12-2-3-18(15-33)24(35)32-13-9-16(10-14-32)21-30-20-4-1-11-29-22(20)31-21/h1,4-8,11,16,18H,2-3,9-10,12-15H2,(H,29,30,31)
InChIKeyWFRZPOWOMKUCCD-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.24
Rot. Bonds3

About [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone

[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone (PubChem CID 134800138) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
PubChem CID134800138
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC Name[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1
InChIInChI=1S/C25H26F3N5O2/c26-25(27,28)19-7-5-17(6-8-19)23(34)33-12-2-3-18(15-33)24(35)32-13-9-16(10-14-32)21-30-20-4-1-11-29-22(20)31-21/h1,4-8,11,16,18H,2-3,9-10,12-15H2,(H,29,30,31)
InChIKeyWFRZPOWOMKUCCD-UHFFFAOYSA-N
XLogP4.24
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 134799971
N-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 134798664
[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone
CID 134796294
[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 134795090
(1-benzoylpiperidin-3-yl)-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone
CID 134795960
[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 134793641
N-cyclopentyl-4-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 134796615
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 125000644
CID 134799766
CID 134799766
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 55576245
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone?
The IUPAC name of [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone (CID 134800138) is [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone.
What is the SMILES notation for [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone?
The canonical SMILES for [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1.
What is the InChIKey of [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone?
The InChIKey is WFRZPOWOMKUCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c26-25(27,28)19-7-5-17(6-8-19)23(34)33-12-2-3-18(15-33)24(35)32-13-9-16(10-14-32)21-30-20-4-1-11-29-22(20)31-21/h1,4-8,11,16,18H,2-3,9-10,12-15H2,(H,29,30,31).
What are the key properties of [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone?
[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone has a molecular weight of 485.51 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone is sourced from PubChem (CID 134800138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).