(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C24H27F3N6O — CID 118391340

IUPAC(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1nc2ncc(C3CCNCC3)cc2[nH]1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H27F3N6O/c25-24(26,27)19-3-1-16(2-4-19)15-32-9-11-33(12-10-32)23(34)22-30-20-13-18(14-29-21(20)31-22)17-5-7-28-8-6-17/h1-4,13-14,17,28H,5-12,15H2,(H,29,30,31)
InChIKeyUGQFPSREHYQVMR-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.40
Rot. Bonds4

About (6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 118391340) has the molecular formula C24H27F3N6O and a molecular weight of 472.52 g/mol. Its IUPAC name is (6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID118391340
Molecular FormulaC24H27F3N6O
Molecular Weight472.52 g/mol
Exact Mass472.22
IUPAC Name(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1nc2ncc(C3CCNCC3)cc2[nH]1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H27F3N6O/c25-24(26,27)19-3-1-16(2-4-19)15-32-9-11-33(12-10-32)23(34)22-30-20-13-18(14-29-21(20)31-22)17-5-7-28-8-6-17/h1-4,13-14,17,28H,5-12,15H2,(H,29,30,31)
InChIKeyUGQFPSREHYQVMR-UHFFFAOYSA-N
XLogP3.40
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118397079
(1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118391351
1H-benzimidazol-2-yl-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 139721550
[4-[(4-cyclopropylphenyl)methyl]piperazin-1-yl]-[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]methanone
CID 118397054
[6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 151924227
N-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 78322554
1H-indol-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 42572629
tert-butyl 4-[2-[4-[[4-(difluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-3H-benzimidazol-5-yl]piperidine-1-carboxylate
CID 118397048
[1-methyl-2-[1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-yl]indol-5-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118391425
(5-cyclopropylpyrazolidin-3-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 74658805
[6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone
CID 162575826
(4-ethylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55433059

Frequently Asked Questions

What is the IUPAC name of (6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 118391340) is (6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is O=C(c1nc2ncc(C3CCNCC3)cc2[nH]1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is UGQFPSREHYQVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O/c25-24(26,27)19-3-1-16(2-4-19)15-32-9-11-33(12-10-32)23(34)22-30-20-13-18(14-29-21(20)31-22)17-5-7-28-8-6-17/h1-4,13-14,17,28H,5-12,15H2,(H,29,30,31).
What are the key properties of (6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 472.52 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 118391340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).