[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C32H35F3N6O2 — CID 118397117

IUPAC[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCC(c3ccc4nc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)cn4c3)CC2)cn1
InChIInChI=1S/C32H35F3N6O2/c1-43-30-9-4-24(18-36-30)20-38-12-10-25(11-13-38)26-5-8-29-37-28(22-41(29)21-26)31(42)40-16-14-39(15-17-40)19-23-2-6-27(7-3-23)32(33,34)35/h2-9,18,21-22,25H,10-17,19-20H2,1H3
InChIKeyRETWRVKEUUJUIZ-UHFFFAOYSA-N
MW592.67 g/mol
LogP5.09
Rot. Bonds7

About [6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 118397117) has the molecular formula C32H35F3N6O2 and a molecular weight of 592.67 g/mol. Its IUPAC name is [6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]imidazo[1,2-a]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]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID118397117
Molecular FormulaC32H35F3N6O2
Molecular Weight592.67 g/mol
Exact Mass592.28
IUPAC Name[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCC(c3ccc4nc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)cn4c3)CC2)cn1
InChIInChI=1S/C32H35F3N6O2/c1-43-30-9-4-24(18-36-30)20-38-12-10-25(11-13-38)26-5-8-29-37-28(22-41(29)21-26)31(42)40-16-14-39(15-17-40)19-23-2-6-27(7-3-23)32(33,34)35/h2-9,18,21-22,25H,10-17,19-20H2,1H3
InChIKeyRETWRVKEUUJUIZ-UHFFFAOYSA-N
XLogP5.09
TPSA66.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.67
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]imidazo[1,2-a]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]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 118397117) is [6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]imidazo[1,2-a]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]imidazo[1,2-a]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]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is COc1ccc(CN2CCC(c3ccc4nc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)cn4c3)CC2)cn1.
What is the InChIKey of [6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is RETWRVKEUUJUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N6O2/c1-43-30-9-4-24(18-36-30)20-38-12-10-25(11-13-38)26-5-8-29-37-28(22-41(29)21-26)31(42)40-16-14-39(15-17-40)19-23-2-6-27(7-3-23)32(33,34)35/h2-9,18,21-22,25H,10-17,19-20H2,1H3.
What are the key properties of [6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
[6-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 592.67 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 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]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 118397117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).