[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

C31H34F3N7O2 — CID 118397079

IUPAC[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
SMILESCOc1ccc(CN2CCC(c3cnc4nc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)[nH]c4c3)CC2)cn1
InChIInChI=1S/C31H34F3N7O2/c1-43-27-7-4-22(17-35-27)20-39-10-8-23(9-11-39)24-16-26-28(36-18-24)38-29(37-26)30(42)41-14-12-40(13-15-41)19-21-2-5-25(6-3-21)31(32,33)34/h2-7,16-18,23H,8-15,19-20H2,1H3,(H,36,37,38)
InChIKeyMXSMJTVAVAAUHE-UHFFFAOYSA-N
MW593.65 g/mol
LogP4.72
Rot. Bonds7

About [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

[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 (PubChem CID 118397079) has the molecular formula C31H34F3N7O2 and a molecular weight of 593.65 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID118397079
Molecular FormulaC31H34F3N7O2
Molecular Weight593.65 g/mol
Exact Mass593.27
IUPAC Name[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
SMILESCOc1ccc(CN2CCC(c3cnc4nc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)[nH]c4c3)CC2)cn1
InChIInChI=1S/C31H34F3N7O2/c1-43-27-7-4-22(17-35-27)20-39-10-8-23(9-11-39)24-16-26-28(36-18-24)38-29(37-26)30(42)41-14-12-40(13-15-41)19-21-2-5-25(6-3-21)31(32,33)34/h2-7,16-18,23H,8-15,19-20H2,1H3,(H,36,37,38)
InChIKeyMXSMJTVAVAAUHE-UHFFFAOYSA-N
XLogP4.72
TPSA90.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.65
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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Launch Full Analysis

Related Compounds

(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118391340
[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-[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
[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
(6-methoxy-3-pyridinyl)-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185123
1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185116
(1-methyl-5-piperidin-4-ylbenzimidazol-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118391351
[6-(2,5-dihydropyridin-4-yl)-1H-benzimidazol-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 151924227
(2-cyclopropylpyrimidin-5-yl)-[4-[(6-methoxy-3-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704250
tert-butyl 4-[2-[4-[[4-(difluoromethyl)phenyl]methyl]piperazine-1-carbonyl]-3H-benzimidazol-5-yl]piperidine-1-carboxylate
CID 118397048
1H-benzimidazol-2-yl-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 139721550
N-tert-butyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 53185140

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1ccc(CN2CCC(c3cnc4nc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)[nH]c4c3)CC2)cn1.
What is the InChIKey of [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?
The InChIKey is MXSMJTVAVAAUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3N7O2/c1-43-27-7-4-22(17-35-27)20-39-10-8-23(9-11-39)24-16-26-28(36-18-24)38-29(37-26)30(42)41-14-12-40(13-15-41)19-21-2-5-25(6-3-21)31(32,33)34/h2-7,16-18,23H,8-15,19-20H2,1H3,(H,36,37,38).
What are the key properties of [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?
[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 has a molecular weight of 593.65 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 118397079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).