4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde

C20H13F3N4O2 — CID 122506587

IUPAC4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(-c2cnc3nc(COc4ccccn4)cn3c2)c(C(F)(F)F)c1
InChIInChI=1S/C20H13F3N4O2/c21-20(22,23)17-7-13(11-28)4-5-16(17)14-8-25-19-26-15(10-27(19)9-14)12-29-18-3-1-2-6-24-18/h1-11H,12H2
InChIKeyQPMGYYFAWDBTGN-UHFFFAOYSA-N
MW398.34 g/mol
LogP4.20
Rot. Bonds5

About 4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde

4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde (PubChem CID 122506587) has the molecular formula C20H13F3N4O2 and a molecular weight of 398.34 g/mol. Its IUPAC name is 4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde
PubChem CID122506587
Molecular FormulaC20H13F3N4O2
Molecular Weight398.34 g/mol
Exact Mass398.10
IUPAC Name4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(-c2cnc3nc(COc4ccccn4)cn3c2)c(C(F)(F)F)c1
InChIInChI=1S/C20H13F3N4O2/c21-20(22,23)17-7-13(11-28)4-5-16(17)14-8-25-19-26-15(10-27(19)9-14)12-29-18-3-1-2-6-24-18/h1-11H,12H2
InChIKeyQPMGYYFAWDBTGN-UHFFFAOYSA-N
XLogP4.20
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(20R)-23-amino-17-fluoro-5,12,20-trimethyl-21-oxa-3,7,9,12,24-pentazapentacyclo[20.3.1.02,10.03,8.014,19]hexacosa-1(26),2(10),4,6,8,14(19),15,17,22,24-decaen-13-one
CID 89808125
[3-[2-(Furan-2-yl)-1-methylimidazo[4,5-c]pyridin-7-yl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 44528228
2-[3-[5-(2,2-Difluoroethoxy)-3-pyridyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 71819546
2-[3-[5-(2-Fluoroethoxy)-3-pyridyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 71819548
US10100057, Example 196
CID 122506546
US10100057, Example 133
CID 122506548
US10100057, Example 135
CID 122506551
US10100057, Example 51
CID 122506553
US10100057, Example 99
CID 122506554
US10100057, Example 40
CID 122506556
US10100057, Example 92
CID 122506558
US10100057, Example 81
CID 122506565

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde (CID 122506587) is 4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde is O=Cc1ccc(-c2cnc3nc(COc4ccccn4)cn3c2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde?
The InChIKey is QPMGYYFAWDBTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2/c21-20(22,23)17-7-13(11-28)4-5-16(17)14-8-25-19-26-15(10-27(19)9-14)12-29-18-3-1-2-6-24-18/h1-11H,12H2.
What are the key properties of 4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde?
4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde has a molecular weight of 398.34 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidin-6-yl]-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 122506587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).